Molecule

ID:80502

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-7-8-4-5-10(13-8)9-3-1-2-6-11-9/h1-7H
InChIKey
VAGVVFZWHTULBM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)c1ccccn1
Isomeric Smiles
s1c(ccc1C=O)c1ccccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4085486
LogD (pH = 7.4)
2.4107113
Log P
2.410739
Molar Refractivity
51.9233
Polarizability
20.958078
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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