Molecule

ID:125403

General Information
Structure
MolImage
Molecular Formula
C₁₇H₉NO₃
Molecular Mass
275.25826
Exact Mass
275.05824315
Charge
0
InChI
InChI=1S/C17H9NO3/c19-17-12-5-2-1-4-10(12)11-8-9-15(18(20)21)13-6-3-7-14(17)16(11)13/h1-9H
InChIKey
QAJOWHGESRCVLY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc2c3c1cccc3C(=O)c1c2cccc1
Isomeric Smiles
[O-][N+](=O)c1c2cccc3c2c(cc1)c1c(cccc1)C3=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0360394
LogD (pH = 7.4)
4.0360394
Log P
4.0360394
Molar Refractivity
79.4866
Polarizability
32.032013
Polar Surface Area
62.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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