Molecule

ID:77136

General Information
Structure
Molecular Formula
C₃H₇ClN₂O₂
Molecular Mass
138.55288
Exact Mass
138.01960515
Charge
0
InChI
InChI=1S/C3H6N2O2.ClH/c4-5-1-2-7-3(5)6;/h1-2,4H2;1H
InChIKey
NZPARMKLAMASCC-UHFFFAOYSA-N
Canonic Smiles
O=C1OCCN1N.Cl
Isomeric Smiles
O1CCN(C1=O)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6576617
LogD (pH = 7.4)
-0.6553513
Log P
-0.6553218
Molar Refractivity
23.5013
Polarizability
8.972743
Polar Surface Area
55.56
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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