Molecule

ID:110496

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂O
Molecular Mass
232.27658
Exact Mass
232.088815
Charge
0
InChI
InChI=1S/C17H12O/c18-17(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)12-16/h1-12H
InChIKey
SJNXJRVDSTZUFB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)cccc2)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)c1ccc2ccccc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.4220757
LogD (pH = 7.4)
4.4220757
Log P
4.4220757
Molar Refractivity
73.0837
Polarizability
29.655529
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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