Molecule

ID:44631

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₃N₃O₃
Molecular Mass
305.37212
Exact Mass
305.17394161
Charge
0
InChI
InChI=1S/C16H23N3O3/c1-16(2,3)22-15(21)19-11-5-4-10-18(19)14(20)12-6-8-13(17)9-7-12/h6-9H,4-5,10-11,17H2,1-3H3
InChIKey
MVYMRAPMCNWZIR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)N1CCCCN1C(=O)OC(C)(C)C
Isomeric Smiles
N1(N(C(=O)OC(C)(C)C)CCCC1)C(=O)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.9300854
LogD (pH = 7.4)
1.9318881
Log P
1.9319111
Molar Refractivity
85.4663
Polarizability
32.06796
Polar Surface Area
75.87
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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