Molecule

ID:90537

General Information
Structure
MolImage
Molecular Formula
C₆H₈O
Molecular Mass
96.12712
Exact Mass
96.05751488
Charge
0
InChI
InChI=1S/C6H8O/c1-2-3-4-5-6-7/h2-6H,1H3
InChIKey
BATOPAZDIZEVQF-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C=C/C=O
Isomeric Smiles
O=C/C=C/C=C/C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2881817
LogD (pH = 7.4)
1.2881817
Log P
1.2881817
Molar Refractivity
32.3581
Polarizability
11.378018
Polar Surface Area
17.07
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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