Molecule

ID:73288

General Information
Structure
Molecular Formula
C₅H₄ClNO₂
Molecular Mass
145.54376
Exact Mass
144.99305605
Charge
0
InChI
InChI=1S/C5H4ClNO2/c6-3-2-7-5(9)1-4(3)8/h1-2H,(H2,7,8,9)
InChIKey
ZPLQIPFOCGIIHV-UHFFFAOYSA-N
Canonic Smiles
Clc1c[nH]c(=O)cc1O
Isomeric Smiles
c1(c[nH]c(=O)cc1O)Cl
Calculated Properties
JChem
Acid pKa
7.2872534
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.11941796
LogD (pH = 7.4)
-0.23483197
Log P
0.12644477
Molar Refractivity
34.6538
Polarizability
12.52522
Polar Surface Area
49.33
Rotatable Bonds
0
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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