Molecule

ID:9470

General Information
Structure
MolImage
Molecular Formula
C₁₆H₉NO₂
Molecular Mass
247.24816
Exact Mass
247.06332853
Charge
0
InChI
InChI=1S/C16H9NO2/c18-17(19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9H
InChIKey
ALRLPDGCPYIVHP-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c3c1ccc1c3c(cc2)ccc1
Isomeric Smiles
[N+](=O)([O-])c1c2c3c4c(cc2)cccc4ccc3cc1
Calculated Properties
JChem
LogD (pH = 7.4)
4.22
LogD (pH = 5.5)
4.22
Log P
4.22
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Polar Surface Area
43.14
Polarizability
25.40
Molar Refractivity
73.04
LOG S
-7.27
Data Source
Names and Identifiers
Registration numbers
Properties
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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