Molecule
ID:79667
General Information
Molecular Formula
C₈H₁₂
Molecular Mass
108.18088
Exact Mass
108.09390038
Charge
0
InChI
InChI=1S/C8H12/c1-6-4-7-2-3-8(6)5-7/h2-3,6-8H,4-5H2,1H3
InChIKey
PCBPVYHMZBWMAZ-UHFFFAOYSA-N
Canonic Smiles
CC1CC2CC1C=C2
Isomeric Smiles
CC1C2C=CC(C1)C2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.258253
LogD (pH = 7.4)
2.258253
Log P
2.258253
Molar Refractivity
35.9652
Polarizability
13.800969
Polar Surface Area
0.0
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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