Molecule

ID:69713

General Information
Structure
Molecular Formula
C₅H₉ClN₂O₂
Molecular Mass
164.59016
Exact Mass
164.03525522
Charge
0
InChI
InChI=1S/C5H8N2O2.ClH/c6-3-1-2-4(8)7-5(3)9;/h3H,1-2,6H2,(H,7,8,9);1H
InChIKey
YCPULGHBTPQLRH-UHFFFAOYSA-N
Canonic Smiles
NC1CCC(=O)NC1=O.Cl
Isomeric Smiles
N1C(=O)C(CCC1=O)N.Cl
Calculated Properties
JChem
Acid pKa
11.622135
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.758086
LogD (pH = 7.4)
-1.6078079
Log P
-1.5268506
Molar Refractivity
30.0321
Polarizability
12.091151
Polar Surface Area
72.19
Rotatable Bonds
0
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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