N-anilino-2-[(2E)-2-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]hydrazinyl]-2-oxoethanimidoyl cyanide

Formula:C26H24N6O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-anilino-2-[(2E)-2-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]hydrazinyl]-2-oxoethanimidoyl cyanide is not a drug-like molecule.

MolName	N-anilino-2-[(2E)-2-[[4-(1,1-dioxothiazinan-2-yl)phenyl]-phenylmethylidene]hydrazinyl]-2-oxoethanimidoyl cyanide
MolecularFormula	C26H24N6O3S
Smiles	N#CC(C(N/N=C(\c1ccccc1)/c(cc1)ccc1N(CCCC1)S1(=O)=O)=O)=NNc1ccccc1
InChI	InChI=1S/C26H24N6O3S/c27-19-24(29-28-22-11-5-2-6-12-22)26(33)31-30-25(20-9-3-1-4-10-20)21-13-15-23(16-14-21)32-17-7-8-18-36(32,34)35/h1-6,9-16,28H,7-8,17-18H2,(H,31,33)
InChIK	DCBKXOBZVHUKFK-UHFFFAOYSA-N
TotalMolweight	500.582
Molweight	500.582
MonoisotopicMass	500.163059
CLogP	4.0145
CLogS	-7.421
H Acceptors	9
H Donors	2
TotalSurfaceArea	381.52
Relative PSA	0.27435
PolarSurfaceArea	135.4
Druglikeness	-2.4399
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.52778
Fragments	1
Non HAtoms	36
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	7
Amides	1
StereoCon

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