4-[4-[5-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]furan-2-yl]phenyl]sulfonylmorpholine

Formula:C27H22N2O4S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[4-[5-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]furan-2-yl]phenyl]sulfonylmorpholine is not a drug-like molecule.

MolName	4-[4-[5-[(E)-2-benzo[e][1,3]benzothiazol-2-ylethenyl]furan-2-yl]phenyl]sulfonylmorpholine
MolecularFormula	C27H22N2O4S2
Smiles	O=S(c(cc1)ccc1-c1ccc(/C=C/c2nc(c3ccccc3cc3)c3s2)o1)(N1CCOCC1)=O
InChI	InChI=1S/C27H22N2O4S2/c30-35(31,29-15-17-32-18-16-29)22-10-5-20(6-11-22)24-12-8-21(33-24)9-14-26-28-27-23-4-2-1-3-19(23)7-13-25(27)34-26/h1-14H,15-18H2
InChIK	JFDLKMQQSKJGFC-UHFFFAOYSA-N
TotalMolweight	502.614
Molweight	502.614
MonoisotopicMass	502.102098
CLogP	5.0499
CLogS	-6.288
H Acceptors	6
TotalSurfaceArea	363.29
Relative PSA	0.24105
PolarSurfaceArea	109.26
Druglikeness	2.4321
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	35
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	24
Sp3Atoms	6
Symmetricatoms	5
Amides	1
Aromatic Nitrogens	1
StereoCon

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