Molecule

ID:69550

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂
Molecular Mass
220.26918
Exact Mass
220.10004839
Charge
0
InChI
InChI=1S/C15H12N2/c16-11-14-15(17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14,17H
InChIKey
MZNYYJFAHSNTTQ-UHFFFAOYSA-N
Canonic Smiles
N#CC1NC1(c1ccccc1)c1ccccc1
Isomeric Smiles
C(#N)C1NC1(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6772368
LogD (pH = 7.4)
2.6772473
Log P
2.6772475
Molar Refractivity
66.5196
Polarizability
26.121994
Polar Surface Area
45.73
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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