Molecule

ID:3010

General Information
Structure
MolImage
Molecular Formula
C₃H₈N₂O₂
Molecular Mass
104.10782
Exact Mass
104.05857751
Charge
0
InChI
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1
InChIKey
PECYZEOJVXMISF-REOHCLBHSA-N
Canonic Smiles
N[C@H](C(=O)O)CN
Isomeric Smiles
N[C@@H](CN)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-4.06
LogD (pH = 5.5)
-5.11
Log P
-4.02
Rotatable Bonds
2
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
2.10
Polar Surface Area
89.34
Polarizability
9.84
Molar Refractivity
23.70
LOG S
0.56
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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