Molecule

ID:663

General Information
Structure
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Molecular Formula
C₁₈H₂₄O₂
Molecular Mass
272.38196
Exact Mass
272.17763001
Charge
0
InChI
InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
InChIKey
VOXZDWNPVJITMN-ZBRFXRBCSA-N
Canonic Smiles
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
Isomeric Smiles
O[C@@H]1[C@@]2([C@H]([C@H]3[C@H](CC2)c2c(CC3)cc(O)cc2)CC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
3.74
LogD (pH = 5.5)
3.75
Log P
3.75
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.33
Polar Surface Area
40.46
Polarizability
32.13
Molar Refractivity
79.90
LOG S
-3.99
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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