Molecule

ID:59648

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄O₃
Molecular Mass
288.38136
Exact Mass
288.17254463
Charge
0
InChI
InChI=1S/C18H24O3/c1-17(2,3)12-6-8-18(9-7-12)11-15(20)14-5-4-13(19)10-16(14)21-18/h4-5,10,12,19H,6-9,11H2,1-3H3/t12?,18-
InChIKey
PGBWLTVDGGWTEE-UGFZLDMNSA-N
Canonic Smiles
Oc1ccc2c(c1)O[C@]1(CC2=O)CCC(CC1)C(C)(C)C
Isomeric Smiles
c12c(C(=O)C[C@@]3(O1)CCC(C(C)(C)C)CC3)ccc(c2)O
Calculated Properties
JChem
Acid pKa
7.799947
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0475354
LogD (pH = 7.4)
3.905332
Log P
4.0496917
Molar Refractivity
82.1223
Polarizability
32.300102
Polar Surface Area
46.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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