Molecule

ID:59534

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₂
Molecular Mass
230.30222
Exact Mass
230.13067982
Charge
0
InChI
InChI=1S/C15H18O2/c1-10(2)11-3-5-12(6-4-11)13-7-14(16)9-15(17)8-13/h3-6,9-10,13,16H,7-8H2,1-2H3
InChIKey
RXEIWXKGLKGRIR-UHFFFAOYSA-N
Canonic Smiles
OC1=CC(=O)CC(C1)c1ccc(cc1)C(C)C
Isomeric Smiles
C1=C(CC(CC1=O)c1ccc(cc1)C(C)C)O
Calculated Properties
JChem
Acid pKa
9.030705
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.3249676
LogD (pH = 7.4)
3.3150513
Log P
3.3250957
Molar Refractivity
70.2214
Polarizability
26.549644
Polar Surface Area
37.3
Rotatable Bonds
2
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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