Molecule

ID:48047

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₂N₃
Molecular Mass
318.2851
Exact Mass
317.14255318
Charge
0
InChI
InChI=1S/C15H23N3.2ClH/c1-2-4-14(5-3-1)13-17-8-10-18(11-9-17)15-6-7-16-12-15;;/h1-5,15-16H,6-13H2;2*1H
InChIKey
ZRMAKGSIPQDSLY-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)N1CCN(CC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(CCN(Cc2ccccc2)CC1)C1CCNC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.427728
LogD (pH = 7.4)
-2.4212825
Log P
1.3455607
Molar Refractivity
75.9418
Polarizability
30.069223
Polar Surface Area
18.51
Rotatable Bonds
3
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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