Molecule

ID:60473

General Information
Structure
MolImage
Molecular Formula
C₈H₉Cl₂N₃O
Molecular Mass
234.08256
Exact Mass
233.01226728
Charge
0
InChI
InChI=1S/C8H9Cl2N3O/c9-5-1-2-6(10)7(3-5)12-4-8(14)13-11/h1-3,12H,4,11H2,(H,13,14)
InChIKey
NOLAEIUIWXMNPW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CNc1cc(Cl)ccc1Cl
Isomeric Smiles
C(=O)(NN)CNc1cc(ccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
11.066131
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.0276104
LogD (pH = 7.4)
1.0285803
Log P
1.0286783
Molar Refractivity
58.2523
Polarizability
21.620857
Polar Surface Area
67.15
Rotatable Bonds
3
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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