Molecule

ID:106962

General Information
Structure
Molecular Formula
C₃H₆ClNO₂
Molecular Mass
123.53824
Exact Mass
123.00870612
Charge
0
InChI
InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1
InChIKey
ASBJGPTTYPEMLP-REOHCLBHSA-N
Canonic Smiles
N[C@H](C(=O)O)CCl
Isomeric Smiles
N[C@@H](CCl)C(=O)O
Calculated Properties
JChem
Acid pKa
1.7038734
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.5330448
LogD (pH = 7.4)
-2.5628076
Log P
-2.5328991
Molar Refractivity
25.092
Polarizability
10.291165
Polar Surface Area
63.32
Rotatable Bonds
2
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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