Molecule

ID:92662

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O
Molecular Mass
196.24448
Exact Mass
196.088815
Charge
0
InChI
InChI=1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14+
InChIKey
ARCJQKUWGAZPFX-OKILXGFUSA-N
Canonic Smiles
O1[C@H]([C@H]1c1ccccc1)c1ccccc1
Isomeric Smiles
O1[C@@H]([C@@H]1c1ccccc1)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
3.52
LogD (pH = 5.5)
3.52
Log P
3.52
Rotatable Bonds
2
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-4.27
Polar Surface Area
12.53
Polarizability
20.92
Molar Refractivity
59.61
LOG S
-3.43
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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