Molecule

ID:56467

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₃Cl₂NO
Molecular Mass
330.20792
Exact Mass
329.0374194
Charge
0
InChI
InChI=1S/C18H13Cl2NO/c1-10-7-11(2)17-13(8-10)14(18(20)22)9-16(21-17)12-5-3-4-6-15(12)19/h3-9H,1-2H3
InChIKey
APIOTLMKIFEPIM-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)c(cc(n2)c1ccccc1Cl)C(=O)Cl
Isomeric Smiles
n1c(cc(c2c1c(cc(c2)C)C)C(=O)Cl)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.985771
LogD (pH = 7.4)
5.985776
Log P
5.985776
Molar Refractivity
90.7454
Polarizability
37.063705
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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