Molecule

ID:41910

General Information
Structure
MolImage
Molecular Formula
C₁₂H₇ClN₂O₂S
Molecular Mass
278.71418
Exact Mass
277.99167615
Charge
0
InChI
InChI=1S/C12H7ClN2O2S/c13-12-14-5-7(18-12)6-15-10(16)8-3-1-2-4-9(8)11(15)17/h1-5H,6H2
InChIKey
KZDJNJBEHMLRES-UHFFFAOYSA-N
Canonic Smiles
O=C1N(Cc2cnc(s2)Cl)C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)Cc1sc(nc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3468156
LogD (pH = 7.4)
2.3468187
Log P
2.3468187
Molar Refractivity
68.8425
Polarizability
25.455181
Polar Surface Area
50.27
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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