Molecule

ID:79765

General Information
Structure
Molecular Formula
C₂₀H₂₃ClN₂O
Molecular Mass
342.86242
Exact Mass
342.14989105
Charge
0
InChI
InChI=1S/C20H23N2O.ClH/c1-2-17-5-7-18(8-6-17)20(23)11-16-21-14-9-19(10-15-21)22-12-3-4-13-22;/h5-11,14-16H,2-4,12-13H2,1H3;1H/q+1;/p-1
InChIKey
IUCYXUZOCZWPJM-UHFFFAOYSA-M
Canonic Smiles
CCc1ccc(cc1)C(=O)/C=C/[n+]1ccc(cc1)N1CCCC1.[Cl-]
Isomeric Smiles
[n+]1(ccc(cc1)N1CCCC1)/C=C/C(=O)c1ccc(cc1)CC.[Cl-]
Calculated Properties
JChem
Acid pKa
12.945853
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.030912478
LogD (pH = 7.4)
-0.030911665
Log P
-0.030911766
Molar Refractivity
96.4932
Polarizability
36.08431
Polar Surface Area
24.19
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
No Data Available
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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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