Molecule

ID:89462

General Information
Structure
MolImage
Molecular Formula
C₆H₅NO
Molecular Mass
107.11
Exact Mass
107.03711379
Charge
0
InChI
InChI=1S/C6H5NO/c8-5-6-1-3-7-4-2-6/h1-5H
InChIKey
BGUWFUQJCDRPTL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccncc1
Isomeric Smiles
n1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.46615183
LogD (pH = 7.4)
0.46805143
Log P
0.46807572
Molar Refractivity
30.4851
Polarizability
11.323382
Polar Surface Area
29.96
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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