Molecule

ID:42962

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃N₃O₂
Molecular Mass
267.28262
Exact Mass
267.10077667
Charge
0
InChI
InChI=1S/C15H13N3O2/c1-11-16-14-9-13(18(19)20)7-8-15(14)17(11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
InChIKey
DKGAUUAVZGGUIJ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c(c1)nc(n2Cc1ccccc1)C
Isomeric Smiles
n1(c(nc2c1ccc([N+](=O)[O-])c2)C)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.2228994
LogD (pH = 7.4)
3.2700636
Log P
3.2707021
Molar Refractivity
76.2432
Polarizability
29.62568
Polar Surface Area
63.64
Rotatable Bonds
3
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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