Molecule

ID:81114

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClN₃O₃
Molecular Mass
267.6684
Exact Mass
267.04106888
Charge
0
InChI
InChI=1S/C11H10ClN3O3/c12-9-1-2-10(15(16)17)11(8(9)7-13)14-3-5-18-6-4-14/h1-2H,3-6H2
InChIKey
FYDGGHDOHVKFKU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(Cl)ccc(c1N1CCOCC1)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(c(c(cc1)Cl)C#N)N1CCOCC1)[O-]
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.2629142
LogD (pH = 7.4)
2.2629142
Log P
2.2629142
Molar Refractivity
67.4122
Polarizability
24.523762
Polar Surface Area
82.08
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
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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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