Molecule

ID:96751

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁Cl₂FN₂O
Molecular Mass
277.1222432
Exact Mass
276.02324656
Charge
0
InChI
InChI=1S/C11H11Cl2FN2O/c12-9-7(6-8(14)10(13)15-9)11(17)16-4-2-1-3-5-16/h6H,1-5H2
InChIKey
MKIGYKRJIKJKDD-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(F)c(nc1Cl)Cl)N1CCCCC1
Isomeric Smiles
n1c(c(cc(c1Cl)F)C(=O)N1CCCCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6950774
LogD (pH = 7.4)
2.6950777
Log P
2.6950777
Molar Refractivity
66.8635
Polarizability
24.513397
Polar Surface Area
33.2
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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