Molecule

ID:41061

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂OS
Molecular Mass
292.78382
Exact Mass
292.04371173
Charge
0
InChI
InChI=1S/C14H13ClN2OS/c1-17(2)8-7-12(18)13-9-16-14(19-13)10-3-5-11(15)6-4-10/h3-9H,1-2H3/b8-7+
InChIKey
RJIULOFFGAUSNL-BQYQJAHWSA-N
Canonic Smiles
CN(/C=C/C(=O)c1cnc(s1)c1ccc(cc1)Cl)C
Isomeric Smiles
s1c(cnc1c1ccc(cc1)Cl)C(=O)/C=C/N(C)C
Calculated Properties
JChem
Acid pKa
15.76558
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7801466
LogD (pH = 7.4)
3.2830002
Log P
3.2952685
Molar Refractivity
89.7119
Polarizability
30.422812
Polar Surface Area
33.2
Rotatable Bonds
4
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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