Molecule

ID:18641

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁Cl₂N₃
Molecular Mass
278.22124
Exact Mass
277.11125305
Charge
0
InChI
InChI=1S/C12H19N3.2ClH/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(13)9-11;;/h2-4,9H,5-8,10,13H2,1H3;2*1H
InChIKey
WSGGACATEPPLEB-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)Cc1cccc(c1)N.Cl.Cl
Isomeric Smiles
N1(Cc2cc(N)ccc2)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.043025
LogD (pH = 7.4)
-0.30420557
Log P
0.93283623
Molar Refractivity
65.3512
Polarizability
24.868282
Polar Surface Area
32.5
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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