Molecule

ID:14571

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂ClNOS
Molecular Mass
277.76918
Exact Mass
277.03281269
Charge
0
InChI
InChI=1S/C14H12ClNOS/c15-9-6-4-8(5-7-9)13(17)12-10-2-1-3-11(10)18-14(12)16/h4-7H,1-3,16H2
InChIKey
ZXCMGFVABPBNBQ-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)c1c(N)sc2c1CCC2
Isomeric Smiles
c12c(C(=O)c3ccc(cc3)Cl)c(sc1CCC2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9442806
LogD (pH = 7.4)
4.9442806
Log P
4.9442806
Molar Refractivity
75.2237
Polarizability
28.286509
Polar Surface Area
43.09
Rotatable Bonds
2
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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