Molecule

ID:66296

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Cl₂FN₂
Molecular Mass
249.1121432
Exact Mass
248.02833194
Charge
0
InChI
InChI=1S/C10H11Cl2FN2/c11-7-4-8(12)9(13)3-6(7)10-5-14-1-2-15-10/h3-4,10,14-15H,1-2,5H2
InChIKey
UXYATDLPBMRWFA-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(C2CNCCN2)c(cc1Cl)Cl
Isomeric Smiles
N1C(CNCC1)c1c(cc(c(c1)F)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.48091125
LogD (pH = 7.4)
1.1566515
Log P
2.4062247
Molar Refractivity
59.5576
Polarizability
23.50696
Polar Surface Area
24.06
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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