Molecule

ID:85147

General Information
Structure
Molecular Formula
C₄H₂ClNO₂
Molecular Mass
131.51718
Exact Mass
130.97740599
Charge
0
InChI
InChI=1S/C4H2ClNO2/c5-4(7)3-1-2-6-8-3/h1-2H
InChIKey
NASLINFISOTVJJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccno1
Isomeric Smiles
n1ccc(o1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.44870487
LogD (pH = 7.4)
0.4487049
Log P
0.4487049
Molar Refractivity
28.4922
Polarizability
10.299911
Polar Surface Area
43.1
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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