Molecule

ID:37004

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Cl₂N₄O₄
Molecular Mass
369.1596
Exact Mass
368.00791018
Charge
0
InChI
InChI=1S/C14H10Cl2N4O4/c15-14(16)13(7-1-3-9(17)11(5-7)19(21)22)8-2-4-10(18)12(6-8)20(23)24/h1-6H,17-18H2
InChIKey
RHDIJFMGQSUXMI-UHFFFAOYSA-N
Canonic Smiles
ClC(=C(c1ccc(c(c1)[N+](=O)[O-])N)c1ccc(c(c1)[N+](=O)[O-])N)Cl
Isomeric Smiles
c1(c(ccc(c1)C(=C(Cl)Cl)c1ccc(c(c1)[N+](=O)[O-])N)N)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
15.203111
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
4.419591
LogD (pH = 7.4)
4.4195914
Log P
4.4195914
Molar Refractivity
113.7468
Polarizability
33.301228
Polar Surface Area
143.68
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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