Molecule

ID:77382

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1
InChIKey
WNNNWFKQCKFSDK-SCSAIBSYSA-N
Canonic Smiles
N[C@@H](C(=O)O)CC=C
Isomeric Smiles
N[C@H](CC=C)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6015377
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.1777115
LogD (pH = 7.4)
-2.180603
Log P
-2.1774926
Molar Refractivity
29.6664
Polarizability
11.756323
Polar Surface Area
63.32
Rotatable Bonds
3
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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