Molecule

ID:82661

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂O₂S
Molecular Mass
322.8098
Exact Mass
322.05427641
Charge
0
InChI
InChI=1S/C15H15ClN2O2S/c16-12-5-7-13(8-6-12)21-10-11-3-1-2-4-14(11)20-9-15(19)18-17/h1-8H,9-10,17H2,(H,18,19)
InChIKey
OZJNLFBIXACHOQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)COc1ccccc1CSc1ccc(cc1)Cl
Isomeric Smiles
O(c1ccccc1CSc1ccc(cc1)Cl)CC(=O)NN
Calculated Properties
JChem
Acid pKa
11.937084
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.0416782
LogD (pH = 7.4)
3.0430672
Log P
3.0430965
Molar Refractivity
87.1376
Polarizability
33.6666
Polar Surface Area
64.35
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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