Molecule

ID:126385

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O
Molecular Mass
220.35046
Exact Mass
220.18271539
Charge
0
InChI
InChI=1S/C15H24O/c1-10-5-6-11-9-14(4)8-7-13(2,3)12(14)15(10,11)16/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,14-,15+/m0/s1
InChIKey
JBALFIAUMTYBHR-NZBPQXDJSA-N
Canonic Smiles
C=C1CC[C@@H]2[C@@]1(O)[C@H]1C(C)(C)CC[C@]1(C2)C
Isomeric Smiles
C[C@@]12CCC([C@@H]1[C@@]1([C@H](C2)CCC1=C)O)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1556988
LogD (pH = 7.4)
3.1556995
Log P
3.1556995
Molar Refractivity
65.996
Polarizability
26.563911
Polar Surface Area
20.23
Rotatable Bonds
0
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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