Molecule
ID:118983
General Information
Molecular Formula
C₁₈H₂₄O₃
Molecular Mass
288.38136
Exact Mass
288.17254463
Charge
0
InChI
InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17?,18+/m1/s1
InChIKey
PROQIPRRNZUXQM-AOXRCQJJSA-N
Canonic Smiles
Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1C[C@H](C2O)O)C
Isomeric Smiles
[C@@]12([C@H]([C@H]3[C@@H](c4c(CC3)cc(cc4)O)CC2)C[C@H](C1O)O)C
Calculated Properties
JChem
Acid pKa
10.326835
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.6705914
LogD (pH = 7.4)
2.6700869
Log P
2.6705978
Molar Refractivity
81.2662
Polarizability
31.925823
Polar Surface Area
60.69
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
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Molecule Details
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References
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Bioactivity
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