Molecule

ID:106104

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₂O₇
Molecular Mass
392.40306
Exact Mass
392.15835112
Charge
0
InChI
InChI=1S/C19H24N2O7/c1-19(2,3)27-18(25)20-14(12-26-11-13-7-5-4-6-8-13)17(24)28-21-15(22)9-10-16(21)23/h4-8,14H,9-12H2,1-3H3,(H,20,25)/t14-/m0/s1
InChIKey
NTFYOALQRQBBDG-AWEZNQCLSA-N
Canonic Smiles
O=C([C@@H](NC(=O)OC(C)(C)C)COCc1ccccc1)ON1C(=O)CCC1=O
Isomeric Smiles
CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)ON1C(=O)CCC1=O
Calculated Properties
JChem
Acid pKa
13.00457
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
1.6036611
LogD (pH = 7.4)
1.6036601
Log P
1.6036611
Molar Refractivity
96.8316
Polarizability
38.30853
Polar Surface Area
111.24
Rotatable Bonds
10
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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