N-[(E)-[2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide

Formula:C27H17N3O2S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-[2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide is not a drug-like molecule.

MolName	N-[(E)-[2-(1,3-benzothiazol-2-yl)benzo[f]chromen-3-ylidene]amino]benzamide
MolecularFormula	C27H17N3O2S
Smiles	O=C(c1ccccc1)N/N=C(\C(c1nc(cccc2)c2s1)=C1)/Oc2c1c1ccccc1cc2
InChI	InChI=1S/C27H17N3O2S/c31-25(18-9-2-1-3-10-18)29-30-26-21(27-28-22-12-6-7-13-24(22)33-27)16-20-19-11-5-4-8-17(19)14-15-23(20)32-26/h1-16H,(H,29,31)
InChIK	YYPVNFLWSZUJJA-UHFFFAOYSA-N
TotalMolweight	447.517
Molweight	447.517
MonoisotopicMass	447.104147
CLogP	5.5629
CLogS	-6.978
H Acceptors	5
H Donors	1
TotalSurfaceArea	330.07
Relative PSA	0.23431
PolarSurfaceArea	91.82
Druglikeness	4.5742
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	6
Small Rings	6
Aromatic Rings	5
Aromatic Atoms	25
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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