Molecule

ID:15657

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈Cl₂N₂
Molecular Mass
321.24422
Exact Mass
320.08470395
Charge
0
InChI
InChI=1S/C17H16N2.2ClH/c1-2-4-17-11-15(5-6-16(17)3-1)13-19-12-14-7-9-18-10-8-14;;/h1-11,19H,12-13H2;2*1H
InChIKey
FKSKJTOOCFREIJ-UHFFFAOYSA-N
Canonic Smiles
n1ccc(cc1)CNCc1ccc2c(c1)cccc2.Cl.Cl
Isomeric Smiles
c1(CNCc2ccncc2)ccc2c(c1)cccc2.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.041120805
LogD (pH = 7.4)
1.5822316
Log P
3.027872
Molar Refractivity
78.2119
Polarizability
31.90405
Polar Surface Area
24.92
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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