Molecule

ID:60385

General Information
Structure
MolImage
Molecular Formula
C₆H₅NO
Molecular Mass
107.11
Exact Mass
107.03711379
Charge
0
InChI
InChI=1S/C6H5NO/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
InChIKey
XGCRBVWSFYTMEC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(o1)C#N
Isomeric Smiles
o1c(C#N)ccc1C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.08915
LogD (pH = 7.4)
1.08915
Log P
1.08915
Molar Refractivity
29.3202
Polarizability
10.805468
Polar Surface Area
36.93
Rotatable Bonds
0
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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