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2-[(E)-2-[3-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]phenyl]ethenyl]benzo[e][1,3]benzothiazole

Formula:C32H20N2S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(E)-2-[3-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]phenyl]ethenyl]benzo[e][1,3]benzothiazole is not a drug-like molecule.
MolName2-[(E)-2-[3-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]phenyl]ethenyl]benzo[e][1,3]benzothiazole
MolecularFormulaC32H20N2S2
SmilesC(c1nc(c2ccccc2cc2)c2s1)=C/c1cccc(/C=C/c2nc(c3ccccc3cc3)c3s2)c1
InChIInChI=1S/C32H20N2S2/c1-3-10-25-23(8-1)14-16-27-31(25)33-29(35-27)18-12-21-6-5-7-22(20-21)13-19-30-34-32-26-11-4-2-9-24(26)15-17-28(32)36-30/h1-20H
InChIKPRGIFYQMAWFBNF-UHFFFAOYSA-N
TotalMolweight496.657
Molweight496.657
MonoisotopicMass496.106788
CLogP8.4768
CLogS-9.628
H Acceptors2
TotalSurfaceArea373.58
Relative PSA0.16773
PolarSurfaceArea82.26
Druglikeness0.85518
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.58333
Fragments1
Non HAtoms36
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings7
Aromatic Atoms32
Symmetricatoms17
Aromatic Nitrogens2
StereoCon

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