Molecule

ID:20702

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀ClNO₂
Molecular Mass
329.8206
Exact Mass
329.11825657
Charge
0
InChI
InChI=1S/C19H20ClNO2/c20-17-7-3-15(4-8-17)19(22)16-5-9-18(10-6-16)23-13-14-2-1-11-21-12-14/h3-10,14,21H,1-2,11-13H2
InChIKey
UIRUMNBSFQDBSS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)c1ccc(cc1)OCC1CCCNC1
Isomeric Smiles
C(=O)(c1ccc(OCC2CNCCC2)cc1)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8080652
LogD (pH = 7.4)
1.5412104
Log P
4.024888
Molar Refractivity
92.7771
Polarizability
36.364307
Polar Surface Area
38.33
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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