Molecule

ID:38715

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁N₅O₆
Molecular Mass
319.31434
Exact Mass
319.14918342
Charge
0
InChI
InChI=1S/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)/t7-/m0/s1
InChIKey
OZSSOVRIEPAIMP-ZETCQYMHSA-N
Canonic Smiles
N=C(N[N+](=O)[O-])NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
Isomeric Smiles
N(C(=N)NCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
3.804705
H Acceptors
7
H Donor
5
LogD (pH = 5.5)
-3.5098822
LogD (pH = 7.4)
-4.5848475
Log P
-3.4337168
Molar Refractivity
84.7782
Polarizability
28.554045
Polar Surface Area
166.68
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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