Molecule

ID:80367

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O₂
Molecular Mass
180.24354
Exact Mass
180.11502975
Charge
0
InChI
InChI=1S/C11H16O2/c1-2-13-11(12)10-7-8-3-5-9(10)6-4-8/h3,5,8-10H,2,4,6-7H2,1H3
InChIKey
INGCFUDUPJPKMI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CC2CCC1C=C2
Isomeric Smiles
O=C(C1C2C=CC(C1)CC2)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1412492
LogD (pH = 7.4)
2.1412492
Log P
2.1412492
Molar Refractivity
51.7752
Polarizability
20.05435
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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