Molecule

ID:130906

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉N₃O₇
Molecular Mass
353.32726
Exact Mass
353.12229996
Charge
0
InChI
InChI=1S/C15H19N3O7/c1-15(2,3)25-14(21)17-11(8-12(16)19)13(20)24-10-6-4-9(5-7-10)18(22)23/h4-7,11H,8H2,1-3H3,(H2,16,19)(H,17,21)/t11-/m0/s1
InChIKey
IAPXDJMULQXGDD-NSHDSACASA-N
Canonic Smiles
NC(=O)C[C@@H](C(=O)Oc1ccc(cc1)[N+](=O)[O-])NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)N[C@@H](CC(=O)N)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
12.42751
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
1.2084682
LogD (pH = 7.4)
1.2084646
Log P
1.2084682
Molar Refractivity
85.0993
Polarizability
32.829536
Polar Surface Area
153.54
Rotatable Bonds
9
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
References
Bioactivity
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