Molecule

ID:41457

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁N₃O₂
Molecular Mass
253.25604
Exact Mass
253.08512661
Charge
0
InChI
InChI=1S/C14H11N3O2/c1-10-5-6-16-9-13(15-14(16)7-10)11-3-2-4-12(8-11)17(18)19/h2-9H,1H3
InChIKey
ZJQYLKVDBSTLMC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn2c(c1)nc(c2)c1cccc(c1)[N+](=O)[O-]
Isomeric Smiles
c1c(ccn2c1nc(c2)c1cccc(c1)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8701854
LogD (pH = 7.4)
3.2382612
Log P
3.2460308
Molar Refractivity
73.0665
Polarizability
27.856384
Polar Surface Area
63.12
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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