Molecule

ID:22157

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClN₃O₄
Molecular Mass
329.7793
Exact Mass
329.11423382
Charge
0
InChI
InChI=1S/C14H19N3O4.ClH/c1-3-21-14(18)11-4-5-12(13(8-11)17(19)20)16-7-6-15-10(2)9-16;/h4-5,8,10,15H,3,6-7,9H2,1-2H3;1H
InChIKey
AZBSFTNTQHSRJU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCNC(C1)C.Cl
Isomeric Smiles
c1c(cc(c(c1)N1CC(NCC1)C)[N+](=O)[O-])C(=O)OCC.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.7093875
LogD (pH = 7.4)
0.84663963
Log P
2.2622054
Molar Refractivity
79.7594
Polarizability
29.643225
Polar Surface Area
87.39
Rotatable Bonds
5
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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