Molecule

ID:65745

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂N₃O
Molecular Mass
234.08256
Exact Mass
233.01226728
Charge
0
InChI
InChI=1S/C8H9Cl2N3O/c9-6-5-7(10)12-8(11-6)13-1-3-14-4-2-13/h5H,1-4H2
InChIKey
OXCOCPRVQUEIOL-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc(c1)Cl)N1CCOCC1
Isomeric Smiles
c1c(nc(nc1Cl)N1CCOCC1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.2665057
LogD (pH = 7.4)
2.2665086
Log P
2.2665086
Molar Refractivity
57.9036
Polarizability
21.031376
Polar Surface Area
38.25
Rotatable Bonds
1
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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