Molecule

ID:119537

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClN₂O₂
Molecular Mass
344.83524
Exact Mass
344.1291556
Charge
0
InChI
InChI=1S/C19H20N2O2.ClH/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21;/h2-5,10,12,16,20,23H,6-9H2,1H3;1H/b11-2+;/t12?,16?,19-;/m1./s1
InChIKey
MSYCTAZYGZJIIZ-GTVPRABVSA-N
Canonic Smiles
O=CC1=C2Nc3c([C@@]42[C@@H]2C[C@H]1/C(=C/C)/CN2CC4)cccc3O.Cl
Isomeric Smiles
[C@]123C(=C([C@@H]4/C(=C/C)/CN([C@H]1C4)CC3)C=O)Nc1c2cccc1O.Cl
Calculated Properties
JChem
Acid pKa
7.222739
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6195366
LogD (pH = 7.4)
-0.18385999
Log P
0.025603209
Molar Refractivity
92.8941
Polarizability
34.20764
Polar Surface Area
52.57
Rotatable Bonds
1
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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