Molecule

ID:56586

General Information
Structure
Molecular Formula
C₂₁H₁₉Cl₂NO
Molecular Mass
372.28766
Exact Mass
371.08436959
Charge
0
InChI
InChI=1S/C21H19Cl2NO/c1-12-17(22)10-9-15-16(20(23)25)11-18(24-19(12)15)13-5-7-14(8-6-13)21(2,3)4/h5-11H,1-4H3
InChIKey
OEKKTIRITXKVKN-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nc2c1ccc(c2C)Cl)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.0174065
LogD (pH = 7.4)
7.0174108
Log P
7.017411
Molar Refractivity
104.3701
Polarizability
42.58934
Polar Surface Area
29.96
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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