Molecule

ID:57109

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClNOS
Molecular Mass
315.81716
Exact Mass
315.04846275
Charge
0
InChI
InChI=1S/C17H14ClNOS/c1-9-4-5-15-13(6-9)14(17(18)20)8-16(19-15)12-7-10(2)21-11(12)3/h4-8H,1-3H3
InChIKey
QWBGWMPVSKCONZ-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(c(s1)C)c1nc2ccc(cc2c(c1)C(=O)Cl)C
Isomeric Smiles
c1(ccc2c(c1)c(cc(n2)c1c(sc(c1)C)C)C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.940462
LogD (pH = 7.4)
5.9404736
Log P
5.9404736
Molar Refractivity
88.1178
Polarizability
35.597984
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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