Molecule

ID:12487

General Information
Structure
MolImage
Molecular Formula
C₆H₇ClN₂OS
Molecular Mass
190.65058
Exact Mass
189.99676153
Charge
0
InChI
InChI=1S/C6H7ClN2OS/c1-4-3-8-6(11-4)9-5(10)2-7/h3H,2H2,1H3,(H,8,9,10)
InChIKey
ODWMWRAOMBZILP-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc(s1)NC(=O)CCl
Isomeric Smiles
c1nc(sc1C)NC(=O)CCl
Calculated Properties
JChem
Acid pKa
10.699021
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7371969
LogD (pH = 7.4)
1.7369963
Log P
1.7372036
Molar Refractivity
45.4122
Polarizability
16.735806
Polar Surface Area
41.99
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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