Molecule

ID:131163

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₅O₃
Molecular Mass
269.30026
Exact Mass
269.14878949
Charge
0
InChI
InChI=1S/C11H19N5O3/c1-11(2,3)19-10(18)15-8(9(17)16-12)4-7-5-13-6-14-7/h5-6,8H,4,12H2,1-3H3,(H,13,14)(H,15,18)(H,16,17)
InChIKey
IIAZPXGGUWPKRC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Cc1[nH]cnc1)NC(=O)OC(C)(C)C
Isomeric Smiles
CC(C)(C)OC(=O)NC(Cc1cnc[nH]1)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.205597
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-1.4889727
LogD (pH = 7.4)
-1.0234534
Log P
-0.9608762
Molar Refractivity
69.2383
Polarizability
26.50247
Polar Surface Area
122.13
Rotatable Bonds
6
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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