Molecule

ID:44159

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClN₂O₂
Molecular Mass
240.68612
Exact Mass
240.06655535
Charge
0
InChI
InChI=1S/C11H13ClN2O2/c12-9-4-5-10(14(15)16)11(8-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKey
MTVDYRBCOYNKQA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N1CCCCC1)[N+](=O)[O-]
Isomeric Smiles
c1cc(cc(c1[N+](=O)[O-])N1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4756818
LogD (pH = 7.4)
3.4756846
Log P
3.4756846
Molar Refractivity
64.7581
Polarizability
23.725325
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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