Molecule

ID:68398

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂N₂O
Molecular Mass
259.13178
Exact Mass
258.03266837
Charge
0
InChI
InChI=1S/C11H12Cl2N2O/c12-9-6-8(7-10(13)14-9)11(16)15-4-2-1-3-5-15/h6-7H,1-5H2
InChIKey
RHHFYTMPVURVTP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(Cl)nc(c1)Cl)N1CCCCC1
Isomeric Smiles
c1(cc(cc(n1)Cl)C(=O)N1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5523756
LogD (pH = 7.4)
2.5523756
Log P
2.5523756
Molar Refractivity
66.6471
Polarizability
24.689705
Polar Surface Area
33.2
Rotatable Bonds
1
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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