2-[[(Z)-anthracen-9-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol

Formula:C24H19N3O3S Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[(Z)-anthracen-9-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol is a drug-like molecule.

MolName	2-[[(Z)-anthracen-9-ylmethylideneamino]-(1,1-dioxo-1,2-benzothiazol-3-yl)amino]ethanol
MolecularFormula	C24H19N3O3S
Smiles	OCCN(C(c1c2cccc1)=NS2(=O)=O)/N=C\c1c(cccc2)c2cc2ccccc12
InChI	InChI=1S/C24H19N3O3S/c28-14-13-27(24-21-11-5-6-12-23(21)31(29,30)26-24)25-16-22-19-9-3-1-7-17(19)15-18-8-2-4-10-20(18)22/h1-12,15-16,28H,13-14H2
InChIK	ZFQYNXDMKYSTPX-UHFFFAOYSA-N
TotalMolweight	429.499
Molweight	429.499
MonoisotopicMass	429.114712
CLogP	4.7449
CLogS	-6.227
H Acceptors	6
H Donors	1
TotalSurfaceArea	309.2
Relative PSA	0.22073
PolarSurfaceArea	90.71
Druglikeness	2.4697
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	4
Symmetricatoms	7
BasicNitrogens	1
StereoCon

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