Molecule

ID:48411

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClN₄
Molecular Mass
288.77528
Exact Mass
288.11417424
Charge
0
InChI
InChI=1S/C15H17ClN4/c16-14-10-17-11-15(18-14)20-8-6-19(7-9-20)12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2
InChIKey
GDMIAYWCEBFCAE-UHFFFAOYSA-N
Canonic Smiles
Clc1cncc(n1)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
n1c(N2CCN(Cc3ccccc3)CC2)cncc1Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.6155523
LogD (pH = 7.4)
2.2648926
Log P
2.6362169
Molar Refractivity
83.0151
Polarizability
31.217058
Polar Surface Area
32.26
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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