Molecule

ID:24556

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClNS
Molecular Mass
161.65242
Exact Mass
161.00659794
Charge
0
InChI
InChI=1S/C6H8ClNS/c1-4(8)5-2-3-6(7)9-5/h2-4H,8H2,1H3
InChIKey
POVBCAPIAGIBEW-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(s1)Cl)N
Isomeric Smiles
s1c(ccc1Cl)C(N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6795767
LogD (pH = 7.4)
0.6974438
Log P
2.1985114
Molar Refractivity
39.8048
Polarizability
16.126003
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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