Molecule

ID:129120

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉N₅O
Molecular Mass
225.29076
Exact Mass
225.15896025
Charge
0
InChI
InChI=1S/C10H19N5O/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
InChIKey
ISEUFVQQFVOBCY-UHFFFAOYSA-N
Canonic Smiles
COc1nc(NC(C)C)nc(n1)NC(C)C
Isomeric Smiles
CC(C)Nc1nc(nc(n1)OC)NC(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.21
LogD (pH = 5.5)
1.64
Log P
2.23
Rotatable Bonds
5
H Donor
2
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
5.97
Polar Surface Area
71.96
Polarizability
25.14
Molar Refractivity
67.55
LOG S
-3.28
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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