1-(2,1,3-benzothiadiazol-4-yl)-3-[(Z)-(4-bromophenyl)methylideneamino]urea

Formula:C14H10N5OBrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2,1,3-benzothiadiazol-4-yl)-3-[(Z)-(4-bromophenyl)methylideneamino]urea is a drug-like molecule.

MolName	1-(2,1,3-benzothiadiazol-4-yl)-3-[(Z)-(4-bromophenyl)methylideneamino]urea
MolecularFormula	C14H10N5OBrS
Smiles	O=C(Nc1cccc2nsnc12)N/N=C\c(cc1)ccc1Br
InChI	InChI=1S/C14H10BrN5OS/c15-10-6-4-9(5-7-10)8-16-18-14(21)17-11-2-1-3-12-13(11)20-22-19-12/h1-8H,(H2,17,18,21)
InChIK	OXOVQOKEKQREMV-UHFFFAOYSA-N
TotalMolweight	376.237
Molweight	376.237
MonoisotopicMass	374.978941
CLogP	4.4373
CLogS	-1.703
H Acceptors	6
H Donors	2
TotalSurfaceArea	245.14
Relative PSA	0.3662
PolarSurfaceArea	107.51
Druglikeness	3.515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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