Molecule

ID:76127

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O
Molecular Mass
182.2179
Exact Mass
182.07316494
Charge
0
InChI
InChI=1S/C13H10O/c14-10-11-5-4-8-13(9-11)12-6-2-1-3-7-12/h1-10H
InChIKey
KFKSIUOALVIACE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1ccccc1
Isomeric Smiles
O=Cc1cccc(c1)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3329735
LogD (pH = 7.4)
3.3329735
Log P
3.3329735
Molar Refractivity
57.7782
Polarizability
23.299963
Polar Surface Area
17.07
Rotatable Bonds
2
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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