Molecule

ID:80077

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₄
Molecular Mass
270.2402
Exact Mass
270.06405681
Charge
0
InChI
InChI=1S/C14H10N2O4/c17-15(18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(19)20/h1-10H
InChIKey
CLVIIRIMEIEKOQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1ccc(cc1)/C=C/c1ccc(cc1)[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.193055
LogD (pH = 7.4)
4.193055
Log P
4.193055
Molar Refractivity
76.1622
Polarizability
27.242598
Polar Surface Area
91.64
Rotatable Bonds
4
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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