Molecule

ID:112658

General Information
Structure
MolImage
Molecular Formula
C₇H₆O
Molecular Mass
106.12194
Exact Mass
106.04186481
Charge
0
InChI
InChI=1S/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
InChIKey
HUMNYLRZRPPJDN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1
Isomeric Smiles
O=Cc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.69
LogD (pH = 5.5)
1.69
Log P
1.69
Rotatable Bonds
1
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.11
Polar Surface Area
17.07
Polarizability
11.02
Molar Refractivity
32.64
LOG S
-1.26
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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