Molecule

ID:24868

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂O₂
Molecular Mass
146.53182
Exact Mass
145.98830503
Charge
0
InChI
InChI=1S/C4H3ClN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChIKey
ZOLUACWHRMUETA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1n[nH]cc1Cl
Isomeric Smiles
c1(c(c[nH]n1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0400379
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5013596
LogD (pH = 7.4)
-2.5447767
Log P
0.92490774
Molar Refractivity
31.4344
Polarizability
11.631489
Polar Surface Area
65.98
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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