Molecule

ID:55815

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅ClN₂O₃
Molecular Mass
340.845
Exact Mass
340.15537035
Charge
0
InChI
InChI=1S/C17H24N2O3.ClH/c20-17(19-8-10-21-11-9-19)15-3-5-16(6-4-15)22-13-14-2-1-7-18-12-14;/h3-6,14,18H,1-2,7-13H2;1H
InChIKey
JWBSNEJVVBLOEB-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC1CCCNC1)N1CCOCC1.Cl
Isomeric Smiles
C1CNCC(C1)COc1ccc(cc1)C(=O)N1CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.1809056
LogD (pH = 7.4)
-1.5233178
Log P
1.0409822
Molar Refractivity
85.3431
Polarizability
33.01593
Polar Surface Area
50.8
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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