Molecule

ID:16829

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O₂
Molecular Mass
162.57428
Exact Mass
162.01960515
Charge
0
InChI
InChI=1S/C5H7ClN2O2/c6-3-4(9)8-2-1-7-5(8)10/h1-3H2,(H,7,10)
InChIKey
GZQIJKIKCCPGKH-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCNC1=O
Isomeric Smiles
N1(C(=O)NCC1)C(=O)CCl
Calculated Properties
JChem
Acid pKa
12.087528
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.5620547
LogD (pH = 7.4)
-0.5620634
Log P
-0.5620546
Molar Refractivity
35.2861
Polarizability
13.665164
Polar Surface Area
49.41
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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