Molecule

ID:79766

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₁ClN₂O₂
Molecular Mass
344.83524
Exact Mass
344.1291556
Charge
0
InChI
InChI=1S/C19H21N2O2.ClH/c1-23-18-6-4-16(5-7-18)19(22)10-15-20-13-8-17(9-14-20)21-11-2-3-12-21;/h4-10,13-15H,2-3,11-12H2,1H3;1H/q+1;/p-1
InChIKey
FHYGGHHKCQXZCS-UHFFFAOYSA-M
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/[n+]1ccc(cc1)N1CCCC1.[Cl-]
Isomeric Smiles
[n+]1(ccc(cc1)N1CCCC1)/C=C/C(=O)c1ccc(cc1)OC.[Cl-]
Calculated Properties
JChem
Acid pKa
12.99666
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.1465738
LogD (pH = 7.4)
-1.146573
Log P
-1.1465731
Molar Refractivity
93.3142
Polarizability
34.97351
Polar Surface Area
33.42
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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