Molecule

ID:84000

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂
Molecular Mass
212.24388
Exact Mass
212.08372962
Charge
0
InChI
InChI=1S/C14H12O2/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
CSUUDNFYSFENAE-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(=O)c1ccccc1
Isomeric Smiles
O=C(c1c(cccc1)OC)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2749276
LogD (pH = 7.4)
3.2749276
Log P
3.2749276
Molar Refractivity
63.0967
Polarizability
24.512259
Polar Surface Area
26.3
Rotatable Bonds
3
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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