Molecule

ID:26898

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄ClNO₃S
Molecular Mass
323.79456
Exact Mass
323.03829199
Charge
0
InChI
InChI=1S/C15H14ClNO3S/c1-9-12(10-6-4-3-5-7-10)13(15(19)20-2)14(21-9)17-11(18)8-16/h3-7H,8H2,1-2H3,(H,17,18)
InChIKey
FLVFFLMXZVLHSD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(NC(=O)CCl)sc(c1c1ccccc1)C
Isomeric Smiles
c1(c(c(c(s1)C)c1ccccc1)C(=O)OC)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.02443
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6412888
LogD (pH = 7.4)
4.640322
Log P
4.641301
Molar Refractivity
84.1577
Polarizability
32.853935
Polar Surface Area
55.4
Rotatable Bonds
5
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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