Molecule

ID:62842

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁Cl₂N₃
Molecular Mass
278.22124
Exact Mass
277.11125305
Charge
0
InChI
InChI=1S/C12H19N3.2ClH/c1-15(2)12-5-3-4-11(14-12)10-6-8-13-9-7-10;;/h3-5,10,13H,6-9H2,1-2H3;2*1H
InChIKey
ZFWHCQAFGNHSES-UHFFFAOYSA-N
Canonic Smiles
CN(c1cccc(n1)C1CCNCC1)C.Cl.Cl
Isomeric Smiles
n1c(N(C)C)cccc1C1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6535318
LogD (pH = 7.4)
-0.8062033
Log P
1.6930228
Molar Refractivity
63.6663
Polarizability
24.189213
Polar Surface Area
28.16
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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