Molecule

ID:38012

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂N₂O
Molecular Mass
245.1052
Exact Mass
244.01701831
Charge
0
InChI
InChI=1S/C10H9ClN2O.ClH/c11-9-4-2-1-3-8(9)10-5-7(6-12)13-14-10;/h1-5H,6,12H2;1H
InChIKey
WZZSRYJJKIDOMZ-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(c1)c1ccccc1Cl.Cl
Isomeric Smiles
c1(cc(no1)CN)c1c(Cl)cccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.74080753
LogD (pH = 7.4)
0.94793177
Log P
1.7163028
Molar Refractivity
55.2697
Polarizability
22.506884
Polar Surface Area
52.05
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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