Molecule

ID:90305

General Information
Structure
MolImage
Molecular Formula
C₄H₂ClNOS
Molecular Mass
147.58278
Exact Mass
146.95456237
Charge
0
InChI
InChI=1S/C4H2ClNOS/c5-3-1-6-4(2-7)8-3/h1-2H
InChIKey
ROLHZJVHOWFADC-UHFFFAOYSA-N
Canonic Smiles
Clc1cnc(s1)C=O
Isomeric Smiles
n1c(sc(c1)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7808186
LogD (pH = 7.4)
1.7808193
Log P
1.7808193
Molar Refractivity
31.2791
Polarizability
12.136594
Polar Surface Area
29.96
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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