Molecule

ID:78667

General Information
Structure
MolImage
Molecular Formula
C₂₅H₁₈O
Molecular Mass
334.40982
Exact Mass
334.1357652
Charge
0
InChI
InChI=1S/C25H18O/c26-25(18-17-22-11-6-10-21-9-4-5-12-24(21)22)23-15-13-20(14-16-23)19-7-2-1-3-8-19/h1-18H
InChIKey
ZFZAYVVVWCCISH-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1cccc2c1cccc2
Isomeric Smiles
O=C(c1ccc(cc1)c1ccccc1)/C=C/c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
16.668358
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.5270276
LogD (pH = 7.4)
6.5270276
Log P
6.5270276
Molar Refractivity
108.4634
Polarizability
44.14614
Polar Surface Area
17.07
Rotatable Bonds
4
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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