Molecule

ID:34078

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁N₃
Molecular Mass
233.26794
Exact Mass
233.09529737
Charge
0
InChI
InChI=1S/C15H11N3/c16-9-13-4-1-5-15-14(13)6-8-18(15)11-12-3-2-7-17-10-12/h1-8,10H,11H2
InChIKey
NYKSRSOKTTYSBQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc2c1ccn2Cc1cccnc1
Isomeric Smiles
c1ccc(c2c1n(cc2)Cc1cccnc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4880517
LogD (pH = 7.4)
2.655808
Log P
2.6585808
Molar Refractivity
70.2185
Polarizability
27.885643
Polar Surface Area
41.61
Rotatable Bonds
2
Lipinski's Rule of Five
true
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
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References
Bioactivity
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