Molecule

ID:77265

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂OS
Molecular Mass
292.78382
Exact Mass
292.04371173
Charge
0
InChI
InChI=1S/C14H13ClN2OS/c15-10-1-5-12(6-2-10)17-14(18)9-19-13-7-3-11(16)4-8-13/h1-8H,9,16H2,(H,17,18)
InChIKey
PAWOCZXHIWEDEI-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)Cl)CSc1ccc(cc1)N
Isomeric Smiles
N(c1ccc(cc1)Cl)C(=O)CSc1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
13.606654
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.9536023
LogD (pH = 7.4)
2.977223
Log P
2.977533
Molar Refractivity
82.8316
Polarizability
30.844591
Polar Surface Area
55.12
Rotatable Bonds
4
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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