Molecule

ID:129040

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈O
Molecular Mass
166.26002
Exact Mass
166.1357652
Charge
0
InChI
InChI=1S/C11H18O/c1-6-7-11(12)10(5)9(4)8(2)3/h6-8H,1-5H3/b7-6+,10-9-
InChIKey
QWRGOHMKGNCVAC-KQHSAVHASA-N
Canonic Smiles
C/C=C/C(=O)/C(=C(\C(C)C)/C)/C
Isomeric Smiles
O=C(/C(=C(/C)\C(C)C)/C)/C=C/C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7626352
LogD (pH = 7.4)
3.7626352
Log P
3.7626352
Molar Refractivity
54.6259
Polarizability
20.609564
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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