Molecule

ID:102653

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₄N₂O₆
Molecular Mass
378.33496
Exact Mass
378.08518618
Charge
0
InChI
InChI=1S/C20H14N2O6/c23-19(24)14-11-12-18(17(13-14)22(26)27)28-20(25)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H,(H,23,24)
InChIKey
RLNYDAFUTZRAIW-UHFFFAOYSA-N
Canonic Smiles
O=C(N(c1ccccc1)c1ccccc1)Oc1ccc(cc1[N+](=O)[O-])C(=O)O
Isomeric Smiles
OC(=O)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)c(c1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.8661468
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
2.9694538
LogD (pH = 7.4)
1.377044
Log P
4.607797
Molar Refractivity
99.7966
Polarizability
37.443604
Polar Surface Area
112.66
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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