Molecule

ID:107816

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₂
Molecular Mass
236.26528
Exact Mass
236.08372962
Charge
0
InChI
InChI=1S/C16H12O2/c1-9-7-13-14(8-10(9)2)16(18)12-6-4-3-5-11(12)15(13)17/h3-8H,1-2H3
InChIKey
KIJPZYXCIHZVGP-UHFFFAOYSA-N
Canonic Smiles
O=C1c2cc(C)c(cc2C(=O)c2c1cccc2)C
Isomeric Smiles
Cc1c(C)cc2C(=O)c3ccccc3C(=O)c2c1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9455488
LogD (pH = 7.4)
3.9455488
Log P
3.9455488
Molar Refractivity
71.2334
Polarizability
26.84276
Polar Surface Area
34.14
Rotatable Bonds
0
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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