Molecule

ID:129038

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂O₂
Molecular Mass
234.33398
Exact Mass
234.16197994
Charge
0
InChI
InChI=1S/C15H22O2/c1-14(2)7-4-8-15(3)12(10-17)11(9-16)5-6-13(14)15/h5,9-10,12-13H,4,6-8H2,1-3H3/t12-,13-,15+/m0/s1
InChIKey
AZJUJOFIHHNCSV-KCQAQPDRSA-N
Canonic Smiles
O=C[C@H]1C(=CC[C@@H]2[C@]1(C)CCCC2(C)C)C=O
Isomeric Smiles
CC1(CCC[C@]2([C@H]1CC=C([C@@H]2C=O)C=O)C)C
Calculated Properties
JChem
Acid pKa
13.679706
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5326192
LogD (pH = 7.4)
2.532619
Log P
2.5326192
Molar Refractivity
69.1067
Polarizability
26.802181
Polar Surface Area
34.14
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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