Molecule

ID:86307

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₄O₂
Molecular Mass
278.2655
Exact Mass
278.08037558
Charge
0
InChI
InChI=1S/C15H10N4O2/c1-11-4-5-14(15(7-11)19(20)21)18-6-2-3-13(18)8-12(9-16)10-17/h2-8H,1H3
InChIKey
USJNZHCZYCUODO-UHFFFAOYSA-N
Canonic Smiles
N#CC(=Cc1cccn1c1ccc(cc1[N+](=O)[O-])C)C#N
Isomeric Smiles
n1(c2ccc(cc2[N+](=O)[O-])C)c(ccc1)C=C(C#N)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2853
LogD (pH = 7.4)
3.2853
Log P
3.2853
Molar Refractivity
89.0886
Polarizability
28.82308
Polar Surface Area
98.33
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
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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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