Molecule

ID:15660

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇Cl₂FN₂O
Molecular Mass
319.2019832
Exact Mass
318.07019675
Charge
0
InChI
InChI=1S/C14H15FN2O.2ClH/c1-18-14-7-11(4-5-13(14)15)8-17-10-12-3-2-6-16-9-12;;/h2-7,9,17H,8,10H2,1H3;2*1H
InChIKey
KANYDLVWERQTFR-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCc2cccnc2)ccc1F.Cl.Cl
Isomeric Smiles
c1(CNCc2cccnc2)ccc(c(c1)OC)F.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6930198
LogD (pH = 7.4)
1.0139521
Log P
2.023426
Molar Refractivity
68.4413
Polarizability
26.393595
Polar Surface Area
34.15
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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