Molecule

ID:78774

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₄
Molecular Mass
234.256
Exact Mass
234.09054634
Charge
0
InChI
InChI=1S/C14H10N4/c15-10-12-11-16-18(13-6-2-1-3-7-13)14(12)17-8-4-5-9-17/h1-9,11H
InChIKey
CLPBUILTGSQXDN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cnn(c1n1cccc1)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)ncc(c1n1cccc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2750177
LogD (pH = 7.4)
2.275099
Log P
2.2751
Molar Refractivity
79.147
Polarizability
26.559149
Polar Surface Area
46.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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