Molecule

ID:99879

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁Cl₂FN₂O
Molecular Mass
311.2230432
Exact Mass
310.10149688
Charge
0
InChI
InChI=1S/C13H19FN2O.2ClH/c14-12-2-4-13(5-3-12)17-11-1-8-16-9-6-15-7-10-16;;/h2-5,15H,1,6-11H2;2*1H
InChIKey
VMRGSSVEEBFOGX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)OCCCN1CCNCC1.Cl.Cl
Isomeric Smiles
N1(CCNCC1)CCCOc1ccc(cc1)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7321091
LogD (pH = 7.4)
-0.38638213
Log P
1.5009524
Molar Refractivity
66.3775
Polarizability
25.870914
Polar Surface Area
24.5
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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