Molecule

ID:130633

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₀O₃
Molecular Mass
284.3496
Exact Mass
284.1412445
Charge
0
InChI
InChI=1S/C18H20O3/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/h2-3,8,12-13,15,19H,4-7,9H2,1H3/t12-,13-,15+,18+/m1/s1
InChIKey
JOVYPIGRPWIXHQ-ONUSSAAZSA-N
Canonic Smiles
Oc1ccc2c(c1)C(=O)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC2=O)C
Isomeric Smiles
C[C@]12CC[C@@H]3c4ccc(cc4C(=O)C[C@H]3[C@@H]1CCC2=O)O
Calculated Properties
JChem
Acid pKa
8.882314
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.1644747
LogD (pH = 7.4)
3.1506715
Log P
3.1646538
Molar Refractivity
79.8689
Polarizability
30.96599
Polar Surface Area
54.37
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
References
Bioactivity
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