Molecule

ID:135279

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₂
Molecular Mass
90.0865889
Exact Mass
90.04471336
Charge
0
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m1/s1/i4+1
InChIKey
QNAYBMKLOCPYGJ-GNVKNKTISA-N
Canonic Smiles
C[C@H](C(=O)O)[15NH2]
Isomeric Smiles
C[C@H](C(=O)O)[15NH2]
Calculated Properties
JChem
Acid pKa
2.4748974
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.840927
LogD (pH = 7.4)
-2.843974
Log P
-2.840788
Molar Refractivity
20.4973
Polarizability
8.358352
Polar Surface Area
63.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation