Molecule

ID:82645

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇Cl₂N₃O₄
Molecular Mass
316.09698
Exact Mass
314.98136108
Charge
0
InChI
InChI=1S/C11H7Cl2N3O4/c12-9-10(13)15(5-14-9)6-20-11(17)7-1-3-8(4-2-7)16(18)19/h1-5H,6H2
InChIKey
RXUILJMHYPJIQG-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)[N+](=O)[O-])OCn1cnc(c1Cl)Cl
Isomeric Smiles
n1(c(c(Cl)nc1)Cl)COC(=O)c1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0760062
LogD (pH = 7.4)
3.0769994
Log P
3.077012
Molar Refractivity
72.83
Polarizability
27.168852
Polar Surface Area
89.94
Rotatable Bonds
5
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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