Molecule

ID:78782

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂N₂O₃
Molecular Mass
277.104
Exact Mass
276.00684755
Charge
0
InChI
InChI=1S/C10H10Cl2N2O3/c11-7-5-9(13-1-3-17-4-2-13)10(14(15)16)6-8(7)12/h5-6H,1-4H2
InChIKey
KFQXFYMZLORMSD-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(N2CCOCC2)c(cc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(c(c1)Cl)Cl)N1CCOCC1)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.0108628
LogD (pH = 7.4)
3.0108628
Log P
3.0108628
Molar Refractivity
66.4954
Polarizability
24.618963
Polar Surface Area
58.29
Rotatable Bonds
2
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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