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CAS 10361-94-1 ZINC BORATE molecular structure lightbox
CAS RN: 10361-94-1

ZINC BORATE

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  • Product code: starshine_CAS10361-94-1
  • Purity/Analytical Methods: >99.0%
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10361-94-1 / zinc boric acid

Boric acid (HBO2), zinc salt (2:1) | RefChem:1080091 | DTXSID901340531

Standard CAS: 10361-94-1 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
10361-94-1
Multi CAS
Yes
Molecular Formula
BH3O3Zn+2
Molecular Weight
127.200000
Exact Mass
125.946666
SMILES
B(O)(O)O.[Zn+2]
InChI
InChI=1S/2BO3.3Zn/c2*2-1(3)4;;;/q2*-3;3*+2
InChIKey
BIKXLKXABVUSMH-UHFFFAOYSA-N
Synonyms
Boric acid (HBO2), zinc salt (2:1) RefChem:1080091 DTXSID901340531 238-763-9 ZINC BORATE

Computed Properties

Structural Parameters

Heavy atom count
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
12.41
TPSA
60.69

LogP / Solubility

WLOGP
-2.05
MLOGP
-1.82
XLogP3
-2.05
Consensus LogP
-1.97
Log S (ESOL)
0.67
Class (ESOL)
Highly soluble
Log S (Ali)
0.88
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.22
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.95

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1

Safety & Transport

Pictogram(s)
Environmental Hazard
Signal
Warning
GHS Hazard Statements
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
P273, P391, and P501

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