Molecule

ID:135656

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₂
Molecular Mass
91.07924374
Exact Mass
91.0480682
Charge
0
InChI
InChI=1S/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)/i2+1,4+1
InChIKey
UCMIRNVEIXFBKS-NDLBAUGKSA-N
Canonic Smiles
[15NH2][13CH2]CC(=O)O
Isomeric Smiles
C([13CH2][15NH2])C(=O)O
Calculated Properties
JChem
Acid pKa
4.0843987
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.1865036
LogD (pH = 7.4)
-3.173632
Log P
-3.1735895
Molar Refractivity
20.7028
Polarizability
8.358352
Polar Surface Area
63.32
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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