Molecule

ID:104803

General Information
Structure
MolImage
Molecular Formula
C₃H₈ClNO₂
Molecular Mass
125.55412
Exact Mass
125.02435618
Charge
0
InChI
InChI=1S/C3H7NO2.ClH/c1-6-3(5)2-4;/h2,4H2,1H3;1H
InChIKey
COQRGFWWJBEXRC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN.Cl
Isomeric Smiles
Cl.COC(=O)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5870519
LogD (pH = 7.4)
-1.1744462
Log P
-1.0015815
Molar Refractivity
20.7725
Polarizability
8.593669
Polar Surface Area
52.32
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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