N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide

Formula:C17H13N6O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is a drug-like molecule.

MolName	N-[(Z)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
MolecularFormula	C17H13N6O3BrS
Smiles	O=C(CSc1nnnn1-c1ccccc1)N/N=C\c(cc1OCOc1c1)c1Br
InChI	InChI=1S/C17H13BrN6O3S/c18-13-7-15-14(26-10-27-15)6-11(13)8-19-20-16(25)9-28-17-21-22-23-24(17)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,20,25)
InChIK	QAIVYAJKESNPSF-UHFFFAOYSA-N
TotalMolweight	461.299
Molweight	461.299
MonoisotopicMass	459.99532
CLogP	3.3917
CLogS	-5.876
H Acceptors	9
H Donors	1
TotalSurfaceArea	302.37
Relative PSA	0.37464
PolarSurfaceArea	128.82
Druglikeness	1.7931
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Aromatic Nitrogens	4
StereoCon

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