Molecule
ID:83456
General Information
Molecular Formula
C₈H₁₂O
Molecular Mass
124.18028
Exact Mass
124.088815
Charge
0
InChI
InChI=1S/C8H12O/c9-8-4-1-7(2-5-8)3-6-8/h1,4,7,9H,2-3,5-6H2
InChIKey
YTZYREKPCQTYTM-UHFFFAOYSA-N
Canonic Smiles
OC12CCC(CC1)C=C2
Isomeric Smiles
OC12C=CC(CC1)CC2
Calculated Properties
JChem
Acid pKa
18.67535
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2565027
LogD (pH = 7.4)
1.2565029
Log P
1.2565029
Molar Refractivity
37.5457
Polarizability
14.38512
Polar Surface Area
20.23
Rotatable Bonds
0
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
No Data Available
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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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