Molecule

ID:128772

General Information
Structure
MolImage
Molecular Formula
C₆H₆O
Molecular Mass
94.11124
Exact Mass
94.04186481
Charge
0
InChI
InChI=1S/C6H6O/c1-2-4-6-7-5-3-1/h1-6H
InChIKey
ATYBXHSAIOKLMG-UHFFFAOYSA-N
Canonic Smiles
C1=CC=CC=CO1
Isomeric Smiles
C1=CC=COC=C1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.0815207
LogD (pH = 7.4)
1.0815207
Log P
1.0815207
Molar Refractivity
31.0583
Polarizability
11.029965
Polar Surface Area
9.23
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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