Molecule

ID:86300

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄ClNO₂S
Molecular Mass
295.78446
Exact Mass
295.04337737
Charge
0
InChI
InChI=1S/C14H14ClNO2S/c15-12-5-2-1-4-11(12)10-19-9-7-16-14(17)13-6-3-8-18-13/h1-6,8H,7,9-10H2,(H,16,17)
InChIKey
YGKZATQJADPPCP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccco1)NCCSCc1ccccc1Cl
Isomeric Smiles
o1c(ccc1)C(=O)NCCSCc1c(cccc1)Cl
Calculated Properties
JChem
Acid pKa
14.018889
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1249177
LogD (pH = 7.4)
3.1249177
Log P
3.1249177
Molar Refractivity
79.0165
Polarizability
30.098501
Polar Surface Area
42.24
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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