Molecule

ID:48943

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₆ClN₃O
Molecular Mass
323.86084
Exact Mass
323.17644015
Charge
0
InChI
InChI=1S/C17H25N3O.ClH/c21-17(16-8-4-5-9-18-16)20-12-10-19(11-13-20)14-15-6-2-1-3-7-15;/h1-3,6-7,16,18H,4-5,8-14H2;1H
InChIKey
ARIBWXMXTRZILK-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCCN1)N1CCN(CC1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCN(Cc2ccccc2)CC1)C1NCCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.670816
LogD (pH = 7.4)
-0.019798912
Log P
1.5594295
Molar Refractivity
84.9436
Polarizability
33.395817
Polar Surface Area
35.58
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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