Molecule

ID:15869

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₂FN₂
Molecular Mass
323.2768032
Exact Mass
322.13788239
Charge
0
InChI
InChI=1S/C15H23FN2.2ClH/c1-17-12-14-7-10-18(11-8-14)9-6-13-2-4-15(16)5-3-13;;/h2-5,14,17H,6-12H2,1H3;2*1H
InChIKey
BOAZGFPAWUIUMC-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(CC1)CCc1ccc(cc1)F.Cl.Cl
Isomeric Smiles
C1(CCN(CC1)CCc1ccc(cc1)F)CNC.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.104345
LogD (pH = 7.4)
-2.377332
Log P
2.4503646
Molar Refractivity
74.5465
Polarizability
28.800684
Polar Surface Area
15.27
Rotatable Bonds
5
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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