Molecule

ID:47321

General Information
Structure
Molecular Formula
C₁₉H₂₂ClNO₃
Molecular Mass
347.83588
Exact Mass
347.12882125
Charge
0
InChI
InChI=1S/C19H21NO3.ClH/c21-19(22-14-15-5-2-1-3-6-15)16-8-10-17(11-9-16)23-18-7-4-12-20-13-18;/h1-3,5-6,8-11,18,20H,4,7,12-14H2;1H
InChIKey
BAFGZQNPVUHALZ-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)OC1CCCNC1)OCc1ccccc1.Cl
Isomeric Smiles
C(=O)(c1ccc(OC2CNCCC2)cc1)OCc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.48237106
LogD (pH = 7.4)
1.6294804
Log P
3.6446857
Molar Refractivity
89.0947
Polarizability
35.020344
Polar Surface Area
47.56
Rotatable Bonds
6
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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