Molecule

ID:38714

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-/m1/s1
InChIKey
OZSSOVRIEPAIMP-SSDOTTSWSA-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
3.660495
H Acceptors
8
H Donor
5
LogD (pH = 5.5)
-1.2733893
LogD (pH = 7.4)
-2.5259495
Log P
-1.1886077
Molar Refractivity
85.7824
Polarizability
28.554045
Polar Surface Area
169.36
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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