Molecule

ID:50125

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O₂
Molecular Mass
252.30774
Exact Mass
252.11502975
Charge
0
InChI
InChI=1S/C17H16O2/c18-11-16-10-15(14-4-2-1-3-5-14)8-9-17(16)19-12-13-6-7-13/h1-5,8-11,13H,6-7,12H2
InChIKey
ZVAGFMNQDNHXMY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1OCC1CC1)c1ccccc1
Isomeric Smiles
c1(cc(ccc1OCC1CC1)c1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9558794
LogD (pH = 7.4)
3.9558794
Log P
3.9558794
Molar Refractivity
76.1834
Polarizability
30.544865
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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