Molecule
ID:80573
General Information
Molecular Formula
C₁₁H₇NOS
Molecular Mass
201.24438
Exact Mass
201.02483485
Charge
0
InChI
InChI=1S/C11H7NOS/c13-8-12-11-7-6-10(14-11)9-4-2-1-3-5-9/h1-7H
InChIKey
HEDGSHFNFRGBDX-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(s1)c1ccccc1
Isomeric Smiles
s1c(ccc1N=C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4731708
LogD (pH = 7.4)
3.4731708
Log P
3.4731708
Molar Refractivity
56.316
Polarizability
22.263124
Polar Surface Area
29.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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