Molecule

ID:74464

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉N
Molecular Mass
179.21726
Exact Mass
179.07349929
Charge
0
InChI
InChI=1S/C13H9N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h1-9H
InChIKey
DZBUGLKDJFMEHC-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)nc1c(c2)cccc1
Isomeric Smiles
n1c2ccccc2cc2ccccc12
Calculated Properties
JChem
LogD (pH = 7.4)
3.48
LogD (pH = 5.5)
2.81
Log P
3.51
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
6.15
Polar Surface Area
12.89
Polarizability
20.01
Molar Refractivity
56.06
LOG S
-3.78
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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