Molecule

ID:80449

General Information
Structure
MolImage
Molecular Formula
C₉H₄ClNS
Molecular Mass
193.65276
Exact Mass
192.97529781
Charge
0
InChI
InChI=1S/C9H4ClNS/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-3,5H
InChIKey
SXWOPXJSURXXCM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1csc2c1cc(Cl)cc2
Isomeric Smiles
s1cc(c2cc(ccc12)Cl)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3094115
LogD (pH = 7.4)
3.3094115
Log P
3.3094115
Molar Refractivity
49.9245
Polarizability
20.194674
Polar Surface Area
23.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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