Molecule

ID:130269

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O
Molecular Mass
220.35046
Exact Mass
220.18271539
Charge
0
InChI
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+
InChIKey
OJYKYCDSGQGTRJ-VZUCSPMQSA-N
Canonic Smiles
OC/C(=C/CCC1(C)C2CCC(C1=C)C2)/C
Isomeric Smiles
C/C(=C\CCC1(C)C(=C)C2CC1CC2)/CO
Calculated Properties
JChem
Acid pKa
16.644024
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2385383
LogD (pH = 7.4)
3.2385383
Log P
3.2385383
Molar Refractivity
69.2271
Polarizability
27.066486
Polar Surface Area
20.23
Rotatable Bonds
4
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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