Molecule

ID:132443

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄O₃
Molecular Mass
288.38136
Exact Mass
288.17254463
Charge
0
InChI
InChI=1S/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3/t12-,13-,15+,16+,17+,18+/m1/s1
InChIKey
QZZRQURPSRWTLG-WOVZSMEKSA-N
Canonic Smiles
Oc1ccc2c(c1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C
Isomeric Smiles
C[C@]12CC[C@@H]3c4ccc(cc4[C@H](C[C@H]3[C@@H]1CC[C@@H]2O)O)O
Calculated Properties
JChem
LogD (pH = 7.4)
2.51
LogD (pH = 5.5)
2.51
Log P
2.51
Rotatable Bonds
0
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.62
Polar Surface Area
60.69
Polarizability
32.88
Molar Refractivity
81.42
LOG S
-2.70
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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