Molecule

ID:4459

General Information
Structure
MolImage
Molecular Formula
C₆H₇N
Molecular Mass
93.12648
Exact Mass
93.05784923
Charge
0
InChI
InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
InChIKey
PAYRUJLWNCNPSJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1
Isomeric Smiles
c1(ccccc1)N
Calculated Properties
JChem
LogD (pH = 7.4)
1.14
LogD (pH = 5.5)
1.09
Log P
1.14
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.64
Polar Surface Area
26.02
Polarizability
10.29
Molar Refractivity
30.76
LOG S
-1.13
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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