Molecule

ID:83595

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀ClNO₂
Molecular Mass
341.8313
Exact Mass
341.11825657
Charge
0
InChI
InChI=1S/C20H20ClNO2/c1-2-3-13-22-17-12-8-7-11-16(17)18(23)20(21,19(22)24)14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3
InChIKey
MBKPWPHUWSIVGA-UHFFFAOYSA-N
Canonic Smiles
CCCCN1c2ccccc2C(=O)C(C1=O)(Cl)Cc1ccccc1
Isomeric Smiles
N1(C(=O)C(C(=O)c2ccccc12)(Cc1ccccc1)Cl)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.8006687
LogD (pH = 7.4)
4.8006687
Log P
4.8006687
Molar Refractivity
95.7352
Polarizability
36.992954
Polar Surface Area
37.38
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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