Molecule

ID:40890

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₄
Molecular Mass
257.24144
Exact Mass
257.06880784
Charge
0
InChI
InChI=1S/C14H11NO4/c1-19-14(16)12-4-2-10(3-5-12)11-6-8-13(9-7-11)15(17)18/h2-9H,1H3
InChIKey
AYTAXIQGKJKPFT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
C(=O)(c1ccc(c2ccc(cc2)[N+](=O)[O-])cc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5639324
LogD (pH = 7.4)
3.5639324
Log P
3.5639324
Molar Refractivity
70.5442
Polarizability
27.546696
Polar Surface Area
72.12
Rotatable Bonds
4
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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