Molecule

ID:70122

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N
Molecular Mass
143.18516
Exact Mass
143.07349929
Charge
0
InChI
InChI=1S/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2
InChIKey
JBIJLHTVPXGSAM-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)cccc2
Isomeric Smiles
Nc1cc2c(cc1)cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
2.13
LogD (pH = 5.5)
2.11
Log P
2.13
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.25
Polar Surface Area
26.02
Polarizability
16.06
Molar Refractivity
47.21
LOG S
-3.09
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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