N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine

Formula:C18H12N3O3BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine is a drug-like molecule.

MolName	N-[(Z)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-1,1-dioxo-1,2-benzothiazol-3-amine
MolecularFormula	C18H12N3O3BrS
Smiles	O=S(c1c2cccc1)(N=C2N/N=C\c1ccc(-c(cc2)ccc2Br)o1)=O
InChI	InChI=1S/C18H12BrN3O3S/c19-13-7-5-12(6-8-13)16-10-9-14(25-16)11-20-21-18-15-3-1-2-4-17(15)26(23,24)22-18/h1-11H,(H,21,22)
InChIK	ILHPCUVPPYYNQB-UHFFFAOYSA-N
TotalMolweight	430.281
Molweight	430.281
MonoisotopicMass	428.978273
CLogP	4.5036
CLogS	-6.021
H Acceptors	6
H Donors	1
TotalSurfaceArea	275.37
Relative PSA	0.28024
PolarSurfaceArea	92.41
Druglikeness	3.506
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	3
BasicNitrogens	1
StereoCon

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