N-[(Z)-naphthalen-1-ylmethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine

Formula:C18H13N3O2S Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(Z)-naphthalen-1-ylmethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine is a drug-like molecule.

MolName	N-[(Z)-naphthalen-1-ylmethylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
MolecularFormula	C18H13N3O2S
Smiles	O=S(c1c2cccc1)(N=C2N/N=C\c1cccc2ccccc12)=O
InChI	InChI=1S/C18H13N3O2S/c22-24(23)17-11-4-3-10-16(17)18(21-24)20-19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-12H,(H,20,21)
InChIK	XGQZNTLXOMDFBA-UHFFFAOYSA-N
TotalMolweight	335.386
Molweight	335.386
MonoisotopicMass	335.072847
CLogP	4.0339
CLogS	-5.333
H Acceptors	5
H Donors	1
TotalSurfaceArea	241.89
Relative PSA	0.2607
PolarSurfaceArea	79.27
Druglikeness	2.7033
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
Symmetricatoms	1
BasicNitrogens	1
StereoCon

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