Molecule

ID:117948

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO
Molecular Mass
97.11518
Exact Mass
97.05276385
Charge
0
InChI
InChI=1S/C5H7NO/c7-4-6-5-2-1-3-5/h5H,1-3H2
InChIKey
JDUJUPAGCBYIRR-UHFFFAOYSA-N
Canonic Smiles
O=C=NC1CCC1
Isomeric Smiles
C(=NC1CCC1)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.86751366
LogD (pH = 7.4)
0.86751366
Log P
0.86751366
Molar Refractivity
25.1504
Polarizability
9.726925
Polar Surface Area
29.43
Rotatable Bonds
1
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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