Molecule

ID:47614

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClN₃
Molecular Mass
301.8138
Exact Mass
301.13457534
Charge
0
InChI
InChI=1S/C17H20ClN3/c18-15-7-4-8-16(19)17(15)21-11-9-20(10-12-21)13-14-5-2-1-3-6-14/h1-8H,9-13,19H2
InChIKey
GRLQOSNKGVWZQJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1N1CCN(CC1)Cc1ccccc1)Cl
Isomeric Smiles
N1(c2c(N)cccc2Cl)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.6626678
LogD (pH = 7.4)
3.1893775
Log P
3.4280012
Molar Refractivity
90.6545
Polarizability
34.07945
Polar Surface Area
32.5
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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