Molecule

ID:27638

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO
Molecular Mass
85.10448
Exact Mass
85.05276385
Charge
0
InChI
InChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3
InChIKey
GSLTVFIVJMCNBH-UHFFFAOYSA-N
Canonic Smiles
CC(N=C=O)C
Isomeric Smiles
C(=NC(C)C)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.73076344
LogD (pH = 7.4)
0.73076344
Log P
0.73076344
Molar Refractivity
22.5056
Polarizability
8.610643
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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