Molecule

ID:127878

General Information
Structure
MolImage
Molecular Formula
C₈H₆O
Molecular Mass
118.13264
Exact Mass
118.04186481
Charge
0
InChI
InChI=1S/C8H6O/c1-2-4-8-6-9-5-7(8)3-1/h1-6H
InChIKey
UXGVMFHEKMGWMA-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)coc2
Isomeric Smiles
o1cc2ccccc2c1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.102968
LogD (pH = 7.4)
2.102968
Log P
2.102968
Molar Refractivity
35.0216
Polarizability
14.768909
Polar Surface Area
13.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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