Molecule

ID:73921

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₄O₃
Molecular Mass
282.68304
Exact Mass
282.05196791
Charge
0
InChI
InChI=1S/C11H11ClN4O3/c12-7-6-8(15-4-2-1-3-5-15)11(16(17)18)10-9(7)13-19-14-10/h6H,1-5H2
InChIKey
FTARNHBLAKDKDS-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(N2CCCCC2)c(c2c1non2)[N+](=O)[O-]
Isomeric Smiles
N1(c2c(c3nonc3c(c2)Cl)[N+](=O)[O-])CCCCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.8257067
LogD (pH = 7.4)
2.8257074
Log P
2.8257074
Molar Refractivity
70.8349
Polarizability
26.476574
Polar Surface Area
87.98
Rotatable Bonds
2
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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