Molecule

ID:56450

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNOS
Molecular Mass
315.81716
Exact Mass
315.04846275
Charge
0
InChI
InChI=1S/C17H14ClNOS/c1-9-6-10(2)16-12(7-9)13(17(18)20)8-14(19-16)15-5-4-11(3)21-15/h4-8H,1-3H3
InChIKey
KZVVIFLXXJJJEM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)c1cc(C(=O)Cl)c2c(n1)c(C)cc(c2)C
Isomeric Smiles
n1c2c(c(cc1c1sc(cc1)C)C(=O)Cl)cc(cc2C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.804736
LogD (pH = 7.4)
5.8047404
Log P
5.8047404
Molar Refractivity
87.8868
Polarizability
35.607864
Polar Surface Area
29.96
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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