Molecule

ID:36154

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₃
Molecular Mass
292.37336
Exact Mass
292.17869264
Charge
0
InChI
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(20)18-10-13(14(19)11-18)17-9-12-7-5-4-6-8-12/h4-8,13-14,17,19H,9-11H2,1-3H3/t13-,14-/m1/s1
InChIKey
GVYATPKTSSTHKN-ZIAGYGMSSA-N
Canonic Smiles
O[C@@H]1CN(C[C@H]1NCc1ccccc1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)C[C@H]([C@@H](C1)O)NCc1ccccc1
Calculated Properties
JChem
Acid pKa
14.168194
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0799137
LogD (pH = 7.4)
0.60048515
Log P
1.7082915
Molar Refractivity
80.6892
Polarizability
32.060383
Polar Surface Area
61.8
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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