Molecule

ID:2911

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c1-2-3(5)4(6)7/h2-3H,1,5H2,(H,6,7)/t3-/m0/s1
InChIKey
RQVLGLPAZTUBKX-VKHMYHEASA-N
Canonic Smiles
N[C@H](C(=O)O)C=C
Isomeric Smiles
N[C@@H](C=C)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.48
LogD (pH = 5.5)
-2.47
Log P
-2.47
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.42
Polar Surface Area
63.32
Polarizability
9.64
Molar Refractivity
24.91
LOG S
-0.20
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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