Molecule

ID:1743

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N
Molecular Mass
193.24384
Exact Mass
193.08914936
Charge
0
InChI
InChI=1S/C14H11N/c15-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9H,15H2
InChIKey
YUENFNPLGJCNRB-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc2c1cc1ccccc1c2
Isomeric Smiles
Nc1cccc2c1cc1ccccc1c2
Calculated Properties
JChem
LogD (pH = 7.4)
3.12
LogD (pH = 5.5)
3.11
Log P
3.12
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.07
Polar Surface Area
26.02
Polarizability
22.00
Molar Refractivity
63.66
LOG S
-5.01
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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