Molecule

ID:125616

General Information
Structure
MolImage
Molecular Formula
C₅H₇ClN₂O₃
Molecular Mass
178.57368
Exact Mass
178.01451977
Charge
0
InChI
InChI=1S/C5H7ClN2O3/c6-3-1-2(11-8-3)4(7)5(9)10/h2,4H,1,7H2,(H,9,10)/t2-,4-/m0/s1
InChIKey
QAWIHIJWNYOLBE-OKKQSCSOSA-N
Canonic Smiles
N[C@H](C(=O)O)[C@@H]1CC(=NO1)Cl
Isomeric Smiles
ClC1=NO[C@H]([C@@H](C(=O)O)N)C1
Calculated Properties
JChem
Acid pKa
1.3971863
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.6740096
LogD (pH = 7.4)
-2.6993408
Log P
-2.673843
Molar Refractivity
36.3964
Polarizability
14.775068
Polar Surface Area
84.91
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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