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[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate

Formula:C31H23NO5Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate is not a drug-like molecule.
MolName[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] (4E)-4-[(3,4-dichlorophenyl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylate
MolecularFormulaC31H23NO5Cl2
SmilesO=C(COC(c1c(CCC/C2=C\c(cc3)cc(Cl)c3Cl)c2nc2ccccc12)=O)c(cc1)cc2c1OCCO2
InChIInChI=1S/C31H23Cl2NO5/c32-23-10-8-18(15-24(23)33)14-20-4-3-6-22-29(21-5-1-2-7-25(21)34-30(20)22)31(36)39-17-26(35)19-9-11-27-28(16-19)38-13-12-37-27/h1-2,5,7-11,14-16H,3-4,6,12-13,17H2
InChIKZKGDDGMWVKNYTP-UHFFFAOYSA-N
TotalMolweight560.432
Molweight560.432
MonoisotopicMass559.095328
CLogP6.7469
CLogS-8.211
H Acceptors6
TotalSurfaceArea402.75
Relative PSA0.16648
PolarSurfaceArea74.72
Druglikeness-7.6142
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.51282
Fragments1
Non HAtoms39
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures6
Small Rings6
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms9
Aromatic Nitrogens1
StereoCon

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