Molecule

ID:90142

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂O
Molecular Mass
124.18028
Exact Mass
124.088815
Charge
0
InChI
InChI=1S/C8H12O/c1-8(2)5-3-7(9)4-6-8/h3,5H,4,6H2,1-2H3
InChIKey
HAUNPYVLVAIUOO-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC(C=C1)(C)C
Isomeric Smiles
O=C1C=CC(CC1)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0730839
LogD (pH = 7.4)
2.0730839
Log P
2.0730839
Molar Refractivity
38.3644
Polarizability
14.569685
Polar Surface Area
17.07
Rotatable Bonds
0
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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