Molecule

ID:70772

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO
Molecular Mass
99.13106
Exact Mass
99.06841391
Charge
0
InChI
InChI=1S/C5H9NO/c1-6(2)4-3-5-7/h3-5H,1-2H3/b4-3+
InChIKey
RRLMPLDPCKRASL-ONEGZZNKSA-N
Canonic Smiles
O=C/C=C/N(C)C
Isomeric Smiles
C(=O)/C=C/N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.037635773
LogD (pH = 7.4)
-0.037634034
Log P
-0.03763401
Molar Refractivity
30.0705
Polarizability
10.906219
Polar Surface Area
20.31
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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