Molecule

ID:125267

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₂
Molecular Mass
236.26528
Exact Mass
236.08372962
Charge
0
InChI
InChI=1S/C16H12O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h3-9H,2H2,1H3
InChIKey
SJEBAWHUJDUKQK-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)C(=O)c1c(C2=O)cccc1
Isomeric Smiles
O=C1c2c(cccc2)C(=O)c2c1ccc(c2)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.876696
LogD (pH = 7.4)
3.876696
Log P
3.876696
Molar Refractivity
70.7932
Polarizability
26.921053
Polar Surface Area
34.14
Rotatable Bonds
1
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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