Molecule

ID:37814

General Information
Structure
Molecular Formula
C₁₀H₁₂Cl₂FNO
Molecular Mass
252.1127832
Exact Mass
251.02799759
Charge
0
InChI
InChI=1S/C10H11ClFNO.ClH/c11-10-3-8(12)2-1-7(10)6-14-9-4-13-5-9;/h1-3,9,13H,4-6H2;1H
InChIKey
VUIBKHPDSAEDBE-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)Cl)COC1CNC1.Cl
Isomeric Smiles
C1NCC1OCc1c(cc(cc1)F)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8350295
LogD (pH = 7.4)
0.73794556
Log P
2.119608
Molar Refractivity
53.0719
Polarizability
20.762764
Polar Surface Area
21.26
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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