Molecule

ID:56590

General Information
Structure
Molecular Formula
C₂₁H₁₉Cl₂NO
Molecular Mass
372.28766
Exact Mass
371.08436959
Charge
0
InChI
InChI=1S/C21H19Cl2NO/c1-3-4-5-14-6-8-15(9-7-14)19-12-17(21(23)25)16-10-11-18(22)13(2)20(16)24-19/h6-12H,3-5H2,1-2H3
InChIKey
XMODLJONGCHBBG-UHFFFAOYSA-N
Canonic Smiles
CCCCc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1ccc(cc1)CCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
7.3194776
LogD (pH = 7.4)
7.3194823
Log P
7.3194823
Molar Refractivity
104.5484
Polarizability
42.590656
Polar Surface Area
29.96
Rotatable Bonds
5
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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