Molecule

ID:24023

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈Cl₂N₂
Molecular Mass
297.22282
Exact Mass
296.08470395
Charge
0
InChI
InChI=1S/C15H16N2.2ClH/c16-15-7-6-13-10-17(11-14(13)8-15)9-12-4-2-1-3-5-12;;/h1-8H,9-11,16H2;2*1H
InChIKey
GMDLLONWGJFMMR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)CN(C2)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(Cc2c(C1)ccc(c2)N)Cc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.026864126
LogD (pH = 7.4)
1.7987322
Log P
2.561417
Molar Refractivity
72.4683
Polarizability
27.43969
Polar Surface Area
29.26
Rotatable Bonds
2
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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