Molecule

ID:39661

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O
Molecular Mass
196.24448
Exact Mass
196.088815
Charge
0
InChI
InChI=1S/C14H12O/c1-3-7-12(8-4-1)14(11-15-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
PRLJMHVNHLTQJJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1(OC1)c1ccccc1
Isomeric Smiles
C1(OC1)(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2467868
LogD (pH = 7.4)
3.2467868
Log P
3.2467868
Molar Refractivity
60.0295
Polarizability
23.602928
Polar Surface Area
12.53
Rotatable Bonds
2
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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