Molecule

ID:88648

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅N₃O₄
Molecular Mass
323.3874
Exact Mass
323.1845063
Charge
0
InChI
InChI=1S/C16H25N3O4/c1-15(2,3)22-13(20)19(14(21)23-16(4,5)6)12-8-7-11(9-17)10-18-12/h7-8,10H,9,17H2,1-6H3
InChIKey
UHNNGDBVHLMPFM-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Isomeric Smiles
N(c1ccc(cn1)CN)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-0.23244062
LogD (pH = 7.4)
1.0325361
Log P
2.6890097
Molar Refractivity
86.1945
Polarizability
33.888077
Polar Surface Area
94.75
Rotatable Bonds
6
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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