Molecule

ID:31486

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅Cl₂FN₂
Molecular Mass
253.1439032
Exact Mass
252.05963207
Charge
0
InChI
InChI=1S/C10H13FN2.2ClH/c11-9-7-8(12)3-4-10(9)13-5-1-2-6-13;;/h3-4,7H,1-2,5-6,12H2;2*1H
InChIKey
WWGRTJMWXKARIG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)F)N1CCCC1.Cl.Cl
Isomeric Smiles
c1(N2CCCC2)c(cc(cc1)N)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7080971
LogD (pH = 7.4)
1.7995614
Log P
1.8008631
Molar Refractivity
52.9444
Polarizability
18.90417
Polar Surface Area
29.26
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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