Molecule

ID:71999

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆O
Molecular Mass
164.24414
Exact Mass
164.12011513
Charge
0
InChI
InChI=1S/C11H16O/c12-11-6-9-2-7-1-8(3-9)5-10(11)4-7/h7-10H,1-6H2
InChIKey
GLVBWWGJOCTLBF-UHFFFAOYSA-N
Canonic Smiles
O=C1CC2CC3CC1CC(C2)C3
Isomeric Smiles
C1C2CC3CC1CC(C2)C(=O)C3
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4093547
LogD (pH = 7.4)
2.4093547
Log P
2.4093547
Molar Refractivity
47.4643
Polarizability
18.875095
Polar Surface Area
17.07
Rotatable Bonds
0
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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