Molecule

ID:44166

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀ClN₃O₄
Molecular Mass
341.79
Exact Mass
341.11423382
Charge
0
InChI
InChI=1S/C15H20ClN3O4/c1-15(2,3)23-14(20)18-8-6-17(7-9-18)13-10-11(16)4-5-12(13)19(21)22/h4-5,10H,6-9H2,1-3H3
InChIKey
LMQPCVYEIBVTQE-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)N1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-]
Isomeric Smiles
c1cc(cc(c1[N+](=O)[O-])N1CCN(CC1)C(=O)OC(C)(C)C)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3725832
LogD (pH = 7.4)
3.3725832
Log P
3.3725832
Molar Refractivity
88.3666
Polarizability
33.061527
Polar Surface Area
78.6
Rotatable Bonds
4
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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