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CAS 19256-80-5 1-Hydroxy-3-nitronaphthalene molecular structure lightbox
CAS RN: 19256-80-5

1-Hydroxy-3-nitronaphthalene

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251027 25mg / 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS19256-80-5
  • Purity/Analytical Methods: >99.0%
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19256-80-5 / 3-nitronaphthalen-1-ol

Standard CAS: 19256-80-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19256-80-5
Multi CAS
No
Molecular Formula
C10H7NO3
Molecular Weight
189.170000
Exact Mass
189.042593
SMILES
C1=CC=C2C(=C1)C=C(C=C2O)[N+](=O)[O-]
InChI
InChI=1S/C10H7NO3/c12-10-6-8(11(13)14)5-7-3-1-2-4-9(7)10/h1-6,12H
InChIKey
PTBQRDXCVFMSFX-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
10
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.27
TPSA
63.37

LogP / Solubility

WLOGP
2.45
MLOGP
2.16
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.13

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
1.5

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