Molecule

ID:16104

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉Cl₂FN₂
Molecular Mass
281.1970632
Exact Mass
280.0909322
Charge
0
InChI
InChI=1S/C12H17FN2.2ClH/c13-11-3-1-2-10(8-11)9-15-6-4-12(14)5-7-15;;/h1-3,8,12H,4-7,9,14H2;2*1H
InChIKey
ISNPZTRVPPAIKE-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)Cc1cccc(c1)F.Cl.Cl
Isomeric Smiles
N1(Cc2cc(F)ccc2)CCC(CC1)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4653184
LogD (pH = 7.4)
-1.653902
Log P
1.2685223
Molar Refractivity
60.1989
Polarizability
23.346258
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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