Molecule

ID:26630

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClN₂OS
Molecular Mass
320.83698
Exact Mass
320.07501185
Charge
0
InChI
InChI=1S/C16H17ClN2OS/c17-10-6-8-11(9-7-10)19-16(20)14-12-4-2-1-3-5-13(12)21-15(14)18/h6-9H,1-5,18H2,(H,19,20)
InChIKey
ZKPKEDIFSSNEQC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NC(=O)c1c(N)sc2c1CCCCC2
Isomeric Smiles
c1(c(sc2c1CCCCC2)N)C(=O)Nc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
11.422186
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.4659476
LogD (pH = 7.4)
5.4659104
Log P
5.4659495
Molar Refractivity
89.3837
Polarizability
32.931076
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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