Molecule

ID:1647

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O
Molecular Mass
182.2179
Exact Mass
182.07316494
Charge
0
InChI
InChI=1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H
InChIKey
RWCCWEUUXYIKHB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.43
LogD (pH = 5.5)
3.43
Log P
3.43
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.46
Polar Surface Area
17.07
Polarizability
20.18
Molar Refractivity
56.63
LOG S
-3.73
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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