Molecule

ID:81054

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁N₃O₃
Molecular Mass
281.26614
Exact Mass
281.08004123
Charge
0
InChI
InChI=1S/C15H11N3O3/c1-10(19)11-6-3-5-9-14(11)21-15(20)12-7-2-4-8-13(12)17-18-16/h2-9H,1H3
InChIKey
YTWHSFQDGMPAFG-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=Nc1ccccc1C(=O)Oc1ccccc1C(=O)C
Isomeric Smiles
[N+](=[N-])=Nc1ccccc1C(=O)Oc1ccccc1C(=O)C
Calculated Properties
JChem
Acid pKa
4.1977544
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.0378423
LogD (pH = 7.4)
5.058158
Log P
3.4634259
Molar Refractivity
98.624
Polarizability
28.469948
Polar Surface Area
80.75
Rotatable Bonds
5
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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