Molecule

ID:44158

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClN₂O₂
Molecular Mass
226.65954
Exact Mass
226.05090528
Charge
0
InChI
InChI=1S/C10H11ClN2O2/c11-8-3-4-9(13(14)15)10(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChIKey
NPIPVCGYGYIXQG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N1CCCC1)[N+](=O)[O-]
Isomeric Smiles
c1cc(cc(c1[N+](=O)[O-])N1CCCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.031115
LogD (pH = 7.4)
3.031116
Log P
3.031116
Molar Refractivity
60.1571
Polarizability
21.896809
Polar Surface Area
49.06
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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