Molecule

ID:79258

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClN₂OS
Molecular Mass
264.73066
Exact Mass
264.0124116
Charge
0
InChI
InChI=1S/C12H9ClN2OS/c13-8-3-5-9(6-4-8)17-12-10(11(14)16)2-1-7-15-12/h1-7H,(H2,14,16)
InChIKey
QLLYWFCCGPTQGT-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)Sc1ncccc1C(=O)N
Isomeric Smiles
S(c1c(cccn1)C(=O)N)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
12.866422
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9934082
LogD (pH = 7.4)
2.993466
Log P
2.9934654
Molar Refractivity
70.7819
Polarizability
26.783417
Polar Surface Area
55.98
Rotatable Bonds
3
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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