Molecule

ID:55112

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClF₂N
Molecular Mass
205.6322064
Exact Mass
205.04698345
Charge
0
InChI
InChI=1S/C9H9F2N.ClH/c10-7-2-1-6(5-8(7)11)9(12)3-4-9;/h1-2,5H,3-4,12H2;1H
InChIKey
BKORYOMJPYTNMW-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1F)C1(N)CC1.Cl
Isomeric Smiles
C1C(C1)(c1ccc(c(c1)F)F)N.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2008212
LogD (pH = 7.4)
-0.16790748
Log P
1.7737514
Molar Refractivity
42.065
Polarizability
16.008736
Polar Surface Area
26.02
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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