Molecule
ID:80028
General Information
Molecular Formula
C₁₀H₁₂O
Molecular Mass
148.20168
Exact Mass
148.088815
Charge
0
InChI
InChI=1S/C10H12O/c1-2-3-4-5-6-7-8-9-10-11/h2-10H,1H3
InChIKey
ADCGETJXLJQTBY-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C=C/C=C/C=C/C=O
Isomeric Smiles
O=C/C=C/C=C/C=C/C=C/C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.342613
LogD (pH = 7.4)
2.342613
Log P
2.342613
Molar Refractivity
52.9953
Polarizability
18.297846
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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