Molecule

ID:86397

General Information
Structure
Molecular Formula
C₁₇H₂₀ClN₃O₃
Molecular Mass
349.812
Exact Mass
349.1193192
Charge
0
InChI
InChI=1S/C17H20ClN3O3/c1-4-20(5-2)14-11-19-21(16(22)15(14)18)13-9-7-12(8-10-13)17(23)24-6-3/h7-11H,4-6H2,1-3H3
InChIKey
NFHDXYKOISIWDM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc(cc1)n1ncc(c(c1=O)Cl)N(CC)CC
Isomeric Smiles
n1(c2ccc(cc2)C(=O)OCC)c(=O)c(c(cn1)N(CC)CC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.9946518
LogD (pH = 7.4)
2.9949672
Log P
2.9949713
Molar Refractivity
95.3918
Polarizability
35.290073
Polar Surface Area
62.21
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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