Molecule

ID:117815

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂OS
Molecular Mass
190.65058
Exact Mass
189.99676153
Charge
0
InChI
InChI=1S/C6H7ClN2OS/c1-4-2-6(11-9-4)8-5(10)3-7/h2H,3H2,1H3,(H,8,10)
InChIKey
PPDIVWQPAJUVCT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(sn1)NC(=O)CCl
Isomeric Smiles
c1(cc(ns1)C)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.097696
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0144832
LogD (pH = 7.4)
1.0144427
Log P
1.0152797
Molar Refractivity
45.3666
Polarizability
16.740435
Polar Surface Area
41.99
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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