Molecule

ID:91147

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₁NO₃
Molecular Mass
265.26344
Exact Mass
265.07389322
Charge
0
InChI
InChI=1S/C16H11NO3/c18-17(19)13-8-10-14(11-9-13)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H
InChIKey
SEGARSYGUBYPOK-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)Oc1cccc2c1cccc2
Isomeric Smiles
O(c1cccc2c1cccc2)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.402994
LogD (pH = 7.4)
4.402994
Log P
4.402994
Molar Refractivity
76.0737
Polarizability
30.029684
Polar Surface Area
55.05
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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