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(9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,10-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-4-ium

Formula:C31H25N2O2Cl2S Mutagenic:none Tumorigenic:high Reproductive Effective:none (9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,10-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-4-ium is not a drug-like molecule.
MolName(9E)-5-(2-chlorophenyl)-9-[(2-chlorophenyl)methylidene]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7,8,10-tetrahydro-5H-[1,3]thiazolo[2,3-b]quinazolin-4-ium
MolecularFormulaC31H25N2O2Cl2S
SmilesClc1c(C(C(CCC/C2=C\c(cccc3)c3Cl)=C2N2)[n+]3c2scc3-c(cc2)cc3c2OCCO3)cccc1
InChIInChI=1S/C31H24Cl2N2O2S/c32-24-10-3-1-6-19(24)16-21-7-5-9-23-29(21)34-31-35(30(23)22-8-2-4-11-25(22)33)26(18-38-31)20-12-13-27-28(17-20)37-15-14-36-27/h1-4,6,8,10-13,16-18,30H,5,7,9,14-15H2/p+1/t30-/m0/s1
InChIKPABSUVDHAVBWEV-PMERELPUSA-O
TotalMolweight560.524
Molweight560.524
MonoisotopicMass559.101377
CLogP4.8866
CLogS-9.913
H Acceptors4
H Donors1
TotalSurfaceArea396.51
Relative PSA0.13765
PolarSurfaceArea62.61
Druglikeness-8.6415
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionstert. immonium
Shape Index0.44737
Fragments1
Non HAtoms38
NonCHAtoms7
Electronegative Atoms7
StereoCenters1
Rotatable Bond3
Rings Closures7
Small Rings7
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms8
Aromatic Nitrogens1
StereoConracemate

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