Molecule

ID:55819

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅ClN₂O₃
Molecular Mass
340.845
Exact Mass
340.15537035
Charge
0
InChI
InChI=1S/C17H24N2O3.ClH/c20-17(19-9-11-21-12-10-19)15-1-3-16(4-2-15)22-13-14-5-7-18-8-6-14;/h1-4,14,18H,5-13H2;1H
InChIKey
VROHKMQEPBLZCZ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OCC1CCNCC1)N1CCOCC1.Cl
Isomeric Smiles
C1NCCC(C1)COc1ccc(cc1)C(=O)N1CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.2319958
LogD (pH = 7.4)
-1.7712246
Log P
0.9994255
Molar Refractivity
85.4419
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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