Molecule

ID:74703

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClNS₂
Molecular Mass
205.72812
Exact Mass
204.97866894
Charge
0
InChI
InChI=1S/C7H7NS2.ClH/c8-4-5-3-7-6(10-5)1-2-9-7;/h1-3H,4,8H2;1H
InChIKey
KUQIZHGWYJUOOG-UHFFFAOYSA-N
Canonic Smiles
NCc1sc2c(c1)scc2.Cl
Isomeric Smiles
s1c2c(cc1)sc(c2)CN.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.81718683
LogD (pH = 7.4)
0.6728955
Log P
1.9940265
Molar Refractivity
44.5455
Polarizability
18.522432
Polar Surface Area
26.02
Rotatable Bonds
1
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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