CAS 12024-11-2 gallium selenide molecular structure

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CAS RN: 12024-11-2

gallium selenide

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Product code: starshine_CAS12024-11-2
Purity/Analytical Methods: >99.0%

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12024-11-2 / selanylidenegallane

RefChem:142194 | DTXCID701511102 | 234-689-6

Standard CAS: 12024-11-2 Multi CAS: Yes

Basic Information Computed Properties Safety & Transport

Basic Information

CAS

12024-11-2

Multi CAS

Yes

Molecular Formula

GaHSe

Molecular Weight

149.700000

Exact Mass

149.849920

SMILES

[GaH]=[Se]

InChI

InChI=1S/Ga.Se

InChIKey

QNWMNMIVDYETIG-UHFFFAOYSA-N

Synonyms

RefChem:142194 DTXCID701511102 234-689-6 DTXSID401014371 Gallium monoselenide

Computed Properties

Structural Parameters

Heavy atom count

Molar refractivity

12.9

TPSA

0.0000

LogP / Solubility

WLOGP

-1.03

MLOGP

-0.91

XLogP3

-1.03

Consensus LogP

-0.99

Log S (ESOL)

-0.12

Class (ESOL)

Very soluble

Log S (Ali)

-0.04

Class (Ali)

Very soluble

Log S (SILICOS-IT)

0.22

Class (SILICOS-IT)

Highly soluble

ADME

GI absorption

Low

BBB permeant

P-gp substrate

CYP1A2 inhibitor

CYP2C19 inhibitor

CYP2C9 inhibitor

CYP2D6 inhibitor

CYP3A4 inhibitor

Log Kp (skin permeation)

-4.36

Drug-likeness / Medicinal Chemistry

Lipinski

Yes

Ghose

Veber

Yes

Egan

Yes

Muegge

Bioavailability score

0.55

Brenk alerts

Leadlikeness

Synthetic Accessibility

Safety & Transport

Pictogram(s)

Acute Toxic Health Hazard Environmental Hazard

Signal

Danger

GHS Hazard Statements

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation] H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard] H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes

P260, P261, P264, P270, P271, P273, P301+P316, P304+P340, P316, P319, P321, P330, P391, P403+P233, P405, and P501