Molecule

ID:65746

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇ClN₄O₂
Molecular Mass
284.74198
Exact Mass
284.10400348
Charge
0
InChI
InChI=1S/C12H17ClN4O2/c13-10-9-11(16-1-5-18-6-2-16)15-12(14-10)17-3-7-19-8-4-17/h9H,1-8H2
InChIKey
KIWUTYCMQNZUPX-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(nc(n1)N1CCOCC1)N1CCOCC1
Isomeric Smiles
c1c(nc(nc1N1CCOCC1)N1CCOCC1)Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.8860983
LogD (pH = 7.4)
1.9257574
Log P
1.9262877
Molar Refractivity
75.8541
Polarizability
27.508776
Polar Surface Area
50.72
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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