Molecule

ID:69097

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c6-3-1-2-5-4(3)7/h3,6H,1-2H2,(H,5,7)/t3-/m0/s1
InChIKey
FRKGSNOMLIYPSH-VKHMYHEASA-N
Canonic Smiles
O=C1NCC[C@@H]1O
Isomeric Smiles
N1C(=O)[C@H](CC1)O
Calculated Properties
JChem
Acid pKa
13.054711
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5234692
LogD (pH = 7.4)
-1.5234702
Log P
-1.5234692
Molar Refractivity
23.7065
Polarizability
9.2818985
Polar Surface Area
49.33
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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