Molecule

ID:38711

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₄O₄
Molecular Mass
272.3009
Exact Mass
272.14845514
Charge
0
InChI
InChI=1S/C11H20N4O4/c1-11(2,3)19-10(18)14-8(9(16)17)6-4-5-7-13-15-12/h8H,4-7H2,1-3H3,(H,14,18)(H,16,17)
InChIKey
SKRPDWWWUARZIW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(NC(=O)OC(C)(C)C)CCCCN=[N+]=[N-]
Isomeric Smiles
N(C(C(=O)O)CCCCN=[N+]=[N-])C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.7896805
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.044873074
LogD (pH = 7.4)
-1.6453245
Log P
1.7087116
Molar Refractivity
67.3175
Polarizability
25.825008
Polar Surface Area
105.06
Rotatable Bonds
9
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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