Molecule

ID:77901

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀Cl₂N₂O
Molecular Mass
269.1266
Exact Mass
268.01701831
Charge
0
InChI
InChI=1S/C12H10Cl2N2O/c1-16(2)7-8(6-15)12(17)10-4-3-9(13)5-11(10)14/h3-5,7H,1-2H3
InChIKey
YZCIMQOXZWNHSQ-UHFFFAOYSA-N
Canonic Smiles
N#C/C(=C\N(C)C)/C(=O)c1ccc(cc1Cl)Cl
Isomeric Smiles
Clc1ccc(c(c1)Cl)C(=O)/C(=C/N(C)C)/C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.8950384
LogD (pH = 7.4)
2.8951676
Log P
2.8951693
Molar Refractivity
69.4762
Polarizability
25.972607
Polar Surface Area
44.1
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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