Molecule

ID:41556

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈O₂
Molecular Mass
254.32362
Exact Mass
254.13067982
Charge
0
InChI
InChI=1S/C17H18O2/c1-12(2)14-9-8-13(3)17(10-14)19-16-7-5-4-6-15(16)11-18/h4-12H,1-3H3
InChIKey
SJHOEARKFOIYOT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1Oc1cc(ccc1C)C(C)C
Isomeric Smiles
c1(Oc2c(C=O)cccc2)cc(ccc1C)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.944466
LogD (pH = 7.4)
4.944466
Log P
4.944466
Molar Refractivity
78.1148
Polarizability
29.783978
Polar Surface Area
26.3
Rotatable Bonds
4
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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