Molecule

ID:41346

General Information
Structure
Molecular Formula
C₆H₇ClN₂OS
Molecular Mass
190.65058
Exact Mass
189.99676153
Charge
0
InChI
InChI=1S/C6H7ClN2OS/c1-10-4-3-8-6(11-2)9-5(4)7/h3H,1-2H3
InChIKey
SWERHXRSRVRUFG-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1Cl)SC
Isomeric Smiles
n1c(c(cnc1SC)OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.023251
LogD (pH = 7.4)
2.0232887
Log P
2.0232892
Molar Refractivity
47.7565
Polarizability
17.994455
Polar Surface Area
35.01
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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