Molecule

ID:135214

General Information
Structure
MolImage
Molecular Formula
C₃H₇NO₃
Molecular Mass
106.08523484
Exact Mass
106.04594793
Charge
0
InChI
InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1/i2+1
InChIKey
MTCFGRXMJLQNBG-JACJRKFSSA-N
Canonic Smiles
OC[13C@@H](C(=O)O)N
Isomeric Smiles
C([13C@@H](C(=O)O)N)O
Calculated Properties
JChem
Acid pKa
2.03399
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.8875728
LogD (pH = 7.4)
-3.8992038
Log P
-3.8877351
Molar Refractivity
22.041
Polarizability
9.0643015
Polar Surface Area
83.55
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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