Molecule

ID:65266

General Information
Structure
MolImage
Molecular Formula
C₄H₉ClN₂O₂
Molecular Mass
152.57946
Exact Mass
152.03525522
Charge
0
InChI
InChI=1S/C4H8N2O2.ClH/c5-4(3(7)8)1-6-2-4;/h6H,1-2,5H2,(H,7,8);1H
InChIKey
PVHZQSXOGXIZIE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(N)CNC1.Cl
Isomeric Smiles
C1NCC1(C(=O)O)N.Cl
Calculated Properties
JChem
Acid pKa
1.1202773
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.897831
LogD (pH = 7.4)
-3.8441582
Log P
-3.8426917
Molar Refractivity
26.4688
Polarizability
11.000733
Polar Surface Area
75.35
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
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Molecule Details
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References
Bioactivity
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