Molecule

ID:128561

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄N₄
Molecular Mass
310.35196
Exact Mass
310.12184647
Charge
0
InChI
InChI=1S/C20H14N4/c1-4-16(13-21-8-1)19-12-15(7-11-23-19)18-6-3-10-24-20(18)17-5-2-9-22-14-17/h1-14H
InChIKey
SWWRILUGNLIYGG-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)c1nccc(c1)c1cccnc1c1cccnc1
Isomeric Smiles
c1cncc(c1)c1cc(ccn1)c1c(nccc1)c1cccnc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7587233
LogD (pH = 7.4)
2.8151875
Log P
2.8159328
Molar Refractivity
92.095
Polarizability
39.862152
Polar Surface Area
51.56
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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