Molecule

ID:62192

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₅ClN₂O
Molecular Mass
344.8783
Exact Mass
344.16554111
Charge
0
InChI
InChI=1S/C20H24N2O.ClH/c1-22(2)19(23)20(12-13-21-15-20)14-16-8-10-18(11-9-16)17-6-4-3-5-7-17;/h3-11,21H,12-15H2,1-2H3;1H
InChIKey
KQHOTPLNSFCYEN-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C1(CNCC1)Cc1ccc(cc1)c1ccccc1)C.Cl
Isomeric Smiles
C1(C(=O)N(C)C)(Cc2ccc(c3ccccc3)cc2)CNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.21850416
LogD (pH = 7.4)
0.224004
Log P
3.0135927
Molar Refractivity
94.2691
Polarizability
38.104065
Polar Surface Area
32.34
Rotatable Bonds
4
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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