Molecule

ID:19967

General Information
Structure
Molecular Formula
C₁₃H₂₁Cl₂FN₂O
Molecular Mass
311.2230432
Exact Mass
310.10149688
Charge
0
InChI
InChI=1S/C13H19FN2O.2ClH/c14-11-4-5-13(12(15)10-11)17-9-8-16-6-2-1-3-7-16;;/h4-5,10H,1-3,6-9,15H2;2*1H
InChIKey
WWAKZDBZMRHNGO-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)OCCN1CCCCC1.Cl.Cl
Isomeric Smiles
c1(cc(ccc1OCCN1CCCCC1)F)N.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9877098
LogD (pH = 7.4)
0.73383206
Log P
1.9983612
Molar Refractivity
67.5991
Polarizability
25.49156
Polar Surface Area
38.49
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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