Molecule

ID:85536

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂
Molecular Mass
234.29576
Exact Mass
234.11569846
Charge
0
InChI
InChI=1S/C16H14N2/c1-3-7-13(8-4-1)15-16(18-12-11-17-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
RKLPQDGVFVQQOT-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C1=NCCN=C1c1ccccc1
Isomeric Smiles
N1=C(c2ccccc2)C(=NCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.74589366
LogD (pH = 7.4)
2.497583
Log P
3.5458767
Molar Refractivity
74.0114
Polarizability
28.039053
Polar Surface Area
24.72
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
References
Bioactivity
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