Molecule

ID:56391

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁Cl₂NO
Molecular Mass
316.18134
Exact Mass
315.02176934
Charge
0
InChI
InChI=1S/C17H11Cl2NO/c1-10-6-7-15-12(8-10)13(17(19)21)9-16(20-15)11-4-2-3-5-14(11)18/h2-9H,1H3
InChIKey
GAQKMXVWLOCTNZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1ccccc1Cl)C(=O)Cl
Isomeric Smiles
c1(nc2c(c(c1)C(=O)Cl)cc(cc2)C)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.4723496
LogD (pH = 7.4)
5.472355
Log P
5.472355
Molar Refractivity
85.7042
Polarizability
35.298264
Polar Surface Area
29.96
Rotatable Bonds
2
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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