Molecule

ID:70615

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₄O₄
Molecular Mass
268.26914
Exact Mass
268.11715501
Charge
0
InChI
InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)
InChIKey
BMKDZUISNHGIBY-UHFFFAOYSA-N
Canonic Smiles
O=C1NC(=O)CN(C1)CC(N1CC(=O)NC(=O)C1)C
Isomeric Smiles
C(C(C)N1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
Calculated Properties
JChem
LogD (pH = 7.4)
-2.65
LogD (pH = 5.5)
-2.65
Log P
-2.65
Rotatable Bonds
3
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
11.20
Polar Surface Area
98.82
Polarizability
26.15
Molar Refractivity
64.25
LOG S
0.42
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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