Molecule

ID:78665

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₈O
Molecular Mass
286.36702
Exact Mass
286.1357652
Charge
0
InChI
InChI=1S/C21H18O/c1-15-10-12-19(16(2)14-15)21(22)13-11-18-8-5-7-17-6-3-4-9-20(17)18/h3-14H,1-2H3
InChIKey
DECBTVONJIWPOE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)C(=O)/C=C/c1cccc2c1cccc2
Isomeric Smiles
O=C(c1c(cc(cc1)C)C)/C=C/c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
16.922058
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.906645
LogD (pH = 7.4)
5.906645
Log P
5.906645
Molar Refractivity
93.4096
Polarizability
36.551613
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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