Molecule

ID:136921

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂O₂
Molecular Mass
236.26528
Exact Mass
236.08372962
Charge
0
InChI
InChI=1S/C16H12O2/c1-11-7-8-15-13(9-11)14(17)10-16(18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
NOQJBXPAMJLUSS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(=O)cc(o2)c1ccccc1
Isomeric Smiles
Cc1ccc2c(c1)c(=O)cc(o2)c1ccccc1
Calculated Properties
JChem
Acid pKa
15.654884
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4808066
LogD (pH = 7.4)
3.4808066
Log P
3.4808066
Molar Refractivity
72.0124
Polarizability
27.046795
Polar Surface Area
26.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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