Molecule

ID:45664

General Information
Structure
MolImage
Molecular Formula
C₄H₆ClNO₃
Molecular Mass
151.54834
Exact Mass
151.00362074
Charge
0
InChI
InChI=1S/C4H6ClNO3/c5-1-3(7)6-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey
DLDTUYIGYMNERN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CNC(=O)CCl
Isomeric Smiles
C(=O)(NCC(=O)O)CCl
Calculated Properties
JChem
Acid pKa
3.3296506
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.9459615
LogD (pH = 7.4)
-4.2108564
Log P
-0.79128516
Molar Refractivity
30.2004
Polarizability
11.945276
Polar Surface Area
66.4
Rotatable Bonds
3
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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