Molecule

ID:119301

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₄O
Molecular Mass
220.35046
Exact Mass
220.18271539
Charge
0
InChI
InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13?,15-/m1/s1
InChIKey
NVEQFIOZRFFVFW-CZPDGURSSA-N
Canonic Smiles
C=C1CCC2O[C@@]2(CC[C@@H]2[C@@H]1CC2(C)C)C
Isomeric Smiles
[C@@]12(OC1CCC(=C)[C@@H]1[C@H](C(C1)(C)C)CC2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.618528
LogD (pH = 7.4)
3.618528
Log P
3.618528
Molar Refractivity
66.2129
Polarizability
26.638624
Polar Surface Area
12.53
Rotatable Bonds
0
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
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References
Bioactivity
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