Molecule

ID:7028

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O
Molecular Mass
170.2072
Exact Mass
170.07316494
Charge
0
InChI
InChI=1S/C12H10O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-8H,1H3
InChIKey
LANRGTXVAPBSIA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c2c1cccc2)C
Isomeric Smiles
c1ccc2c(c1)c(ccc2C)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1886463
LogD (pH = 7.4)
3.1886463
Log P
3.1886463
Molar Refractivity
54.1334
Polarizability
21.598787
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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