Molecule

ID:89838

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀O₂
Molecular Mass
210.228
Exact Mass
210.06807956
Charge
0
InChI
InChI=1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChIKey
WURBFLDFSFBTLW-UHFFFAOYSA-N
Canonic Smiles
O=C(C(=O)c1ccccc1)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)C(=O)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.24
LogD (pH = 5.5)
3.24
Log P
3.24
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
-8.55
Polar Surface Area
34.14
Polarizability
22.38
Molar Refractivity
62.07
LOG S
-4.18
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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