Molecule

ID:86208

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₃NOS
Molecular Mass
315.38832
Exact Mass
315.07178504
Charge
0
InChI
InChI=1S/C20H13NOS/c22-13-18-14-7-1-3-9-16(14)20(17-10-4-2-8-15(17)18)23-19-11-5-6-12-21-19/h1-13H
InChIKey
GCPMIFYULVSHGP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c2ccccc2c(c2c1cccc2)Sc1ccccn1
Isomeric Smiles
S(c1c2c(c(c3ccccc13)C=O)cccc2)c1ccccn1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.229583
LogD (pH = 7.4)
5.230228
Log P
5.230236
Molar Refractivity
96.3831
Polarizability
39.173233
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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