Molecule

ID:71464

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀O
Molecular Mass
182.2179
Exact Mass
182.07316494
Charge
0
InChI
InChI=1S/C13H10O/c14-8-11-7-6-10-5-4-9-2-1-3-12(11)13(9)10/h1-3,6-8H,4-5H2
InChIKey
VNEOTRCBGZQYJT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c3c1cccc3CC2
Isomeric Smiles
c12c3c(ccc1CCc2ccc3)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2383418
LogD (pH = 7.4)
3.2383418
Log P
3.2383418
Molar Refractivity
57.3724
Polarizability
22.610483
Polar Surface Area
17.07
Rotatable Bonds
1
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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