Molecule

ID:97865

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁Cl₂FN₂O
Molecular Mass
311.2230432
Exact Mass
310.10149688
Charge
0
InChI
InChI=1S/C13H19FN2O.2ClH/c1-17-12-2-3-13(14)10(8-12)9-16-11-4-6-15-7-5-11;;/h2-3,8,11,15-16H,4-7,9H2,1H3;2*1H
InChIKey
UHRJQCZCNHRUGM-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)CNC1CCNCC1)F.Cl.Cl
Isomeric Smiles
N1CCC(CC1)NCc1c(ccc(c1)OC)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.791514
LogD (pH = 7.4)
-1.7743741
Log P
1.1603835
Molar Refractivity
66.142
Polarizability
25.866125
Polar Surface Area
33.29
Rotatable Bonds
4
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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