Molecule

ID:15664

General Information
Structure
Molecular Formula
C₁₇H₁₈Cl₂N₂
Molecular Mass
321.24422
Exact Mass
320.08470395
Charge
0
InChI
InChI=1S/C17H16N2.2ClH/c1-2-6-17-10-14(7-8-16(17)5-1)11-19-13-15-4-3-9-18-12-15;;/h1-10,12,19H,11,13H2;2*1H
InChIKey
WIOMWAHZRURHQJ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)CNCc1ccc2c(c1)cccc2.Cl.Cl
Isomeric Smiles
c1(CNCc2cccnc2)ccc2c(c1)cccc2.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.08778471
LogD (pH = 7.4)
1.6769346
Log P
3.027872
Molar Refractivity
78.2119
Polarizability
31.904324
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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