Molecule

ID:1763

General Information
Structure
MolImage
Molecular Formula
C₆H₇N
Molecular Mass
93.12648
Exact Mass
93.05784923
Charge
0
InChI
InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey
ITQTTZVARXURQS-UHFFFAOYSA-N
Canonic Smiles
Cc1cccnc1
Isomeric Smiles
Cc1cccnc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.26
LogD (pH = 5.5)
0.96
Log P
1.27
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
5.63
Polar Surface Area
12.89
Polarizability
10.31
Molar Refractivity
28.94
LOG S
-0.42
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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