Molecule

ID:79893

General Information
Structure
MolImage
Molecular Formula
C₂₂H₁₄N₄O₁₀
Molecular Mass
494.36736
Exact Mass
494.07099267
Charge
0
InChI
InChI=1S/C22H14N4O10/c1-35-14-3-4-20(36-2)11(5-14)6-15-16-7-12(23(27)28)9-18(25(31)32)21(16)22-17(15)8-13(24(29)30)10-19(22)26(33)34/h3-10H,1-2H3
InChIKey
RPZCSPODOTWNCP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)/C=C/1\c2cc(cc(c2c2c1cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC
Isomeric Smiles
[N+](=O)(c1cc(cc2c1c1c(cc(cc1/C/2=C\c1c(ccc(c1)OC)OC)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-]
Calculated Properties
JChem
H Acceptors
10
H Donor
0
LogD (pH = 5.5)
4.864859
LogD (pH = 7.4)
4.864859
Log P
4.864859
Molar Refractivity
136.3689
Polarizability
46.38845
Polar Surface Area
201.74
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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