Molecule

ID:24624

General Information
Structure
MolImage
Molecular Formula
C₈H₅NOS
Molecular Mass
163.1964
Exact Mass
163.00918479
Charge
0
InChI
InChI=1S/C8H5NOS/c10-5-8-9-6-3-1-2-4-7(6)11-8/h1-5H
InChIKey
RHKPJTFLRQNNGJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nc2c(s1)cccc2
Isomeric Smiles
n1c(sc2c1cccc2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.49221
LogD (pH = 7.4)
2.4922118
Log P
2.4922118
Molar Refractivity
43.1767
Polarizability
17.535643
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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