Molecule

ID:4225

General Information
Structure
MolImage
Molecular Formula
C₉H₆O₂
Molecular Mass
146.14274
Exact Mass
146.03677943
Charge
0
InChI
InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKey
ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Canonic Smiles
O=c1ccc2c(o1)cccc2
Isomeric Smiles
O=c1oc2ccccc2cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7833596
LogD (pH = 7.4)
1.7833596
Log P
1.7833596
Molar Refractivity
41.5486
Polarizability
15.6950655
Polar Surface Area
26.3
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
1.72
LOG S
-2.16
Solubility (Water)
1.00e+00 g/l
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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