Molecule

ID:78660

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₆O
Molecular Mass
236.30834
Exact Mass
236.12011513
Charge
0
InChI
InChI=1S/C17H16O/c1-13-8-10-16(14(2)12-13)17(18)11-9-15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKey
UYTPHSQRUDNHPA-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)C(=O)/C=C/c1ccccc1
Isomeric Smiles
O=C(c1c(cc(cc1)C)C)/C=C/c1ccccc1
Calculated Properties
JChem
Acid pKa
17.15501
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.917168
LogD (pH = 7.4)
4.917168
Log P
4.917168
Molar Refractivity
76.9594
Polarizability
28.933304
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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