Molecule

ID:25342

General Information
Structure
Molecular Formula
C₁₅H₁₀ClNO₂S
Molecular Mass
303.7634
Exact Mass
303.01207725
Charge
0
InChI
InChI=1S/C15H10ClNO2S/c1-8-2-3-11-9(6-8)10(15(18)19)7-12(17-11)13-4-5-14(16)20-13/h2-7H,1H3,(H,18,19)
InChIKey
TTZPXRKMYUVDOO-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1ccc(s1)Cl)C(=O)O
Isomeric Smiles
c1(c2c(nc(c3sc(cc3)Cl)c1)ccc(c2)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.571198
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9588673
LogD (pH = 7.4)
1.5292357
Log P
4.8821692
Molar Refractivity
77.8955
Polarizability
32.569187
Polar Surface Area
50.19
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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