Molecule

ID:9850

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉N
Molecular Mass
143.18516
Exact Mass
143.07349929
Charge
0
InChI
InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2-7H,1H3
InChIKey
JRLTTZUODKEYDH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1nccc2
Isomeric Smiles
Cc1c2c(ccc1)cccn2
Calculated Properties
JChem
LogD (pH = 7.4)
2.64
LogD (pH = 5.5)
2.60
Log P
2.64
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.58
Polar Surface Area
12.89
Polarizability
16.03
Molar Refractivity
45.02
LOG S
-2.27
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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