Molecule

ID:48885

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆ClN₃O
Molecular Mass
359.89294
Exact Mass
359.17644015
Charge
0
InChI
InChI=1S/C20H25N3O.ClH/c21-19(15-17-7-3-1-4-8-17)20(24)23-13-11-22(12-14-23)16-18-9-5-2-6-10-18;/h1-10,19H,11-16,21H2;1H
InChIKey
MNRVPFVNMBIYDV-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cc1ccccc1)N)N1CCN(CC1)Cc1ccccc1.Cl
Isomeric Smiles
C(=O)(N1CCN(Cc2ccccc2)CC1)C(Cc1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.32244
LogD (pH = 7.4)
1.5005877
Log P
2.2896173
Molar Refractivity
97.3946
Polarizability
38.218117
Polar Surface Area
49.57
Rotatable Bonds
5
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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