Molecule

ID:26543

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅ClN₂OS
Molecular Mass
306.8104
Exact Mass
306.05936179
Charge
0
InChI
InChI=1S/C15H15ClN2OS/c16-9-5-7-10(8-6-9)18-15(19)13-11-3-1-2-4-12(11)20-14(13)17/h5-8H,1-4,17H2,(H,18,19)
InChIKey
VVPQBUDAEUZLLF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)NC(=O)c1c(N)sc2c1CCCC2
Isomeric Smiles
c1(c(sc2c1CCCC2)N)C(=O)Nc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
11.422179
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.021379
LogD (pH = 7.4)
5.021342
Log P
5.021381
Molar Refractivity
84.7827
Polarizability
31.09601
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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