Molecule

ID:81598

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNOS
Molecular Mass
251.7319
Exact Mass
251.01716263
Charge
0
InChI
InChI=1S/C12H10ClNOS/c1-7(15)12-10(14)6-11(16-12)8-2-4-9(13)5-3-8/h2-6H,14H2,1H3
InChIKey
DLQVOIFYJQATMI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1cc(c(s1)C(=O)C)N
Isomeric Smiles
s1c(c(cc1c1ccc(cc1)Cl)N)C(=O)C
Calculated Properties
JChem
Acid pKa
15.523665
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5128248
LogD (pH = 7.4)
3.5128248
Log P
3.5128248
Molar Refractivity
67.7762
Polarizability
26.6611
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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