1-(2,1,3-benzothiadiazol-4-yl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]urea

Formula:C16H13N5OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2,1,3-benzothiadiazol-4-yl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]urea is a drug-like molecule.

MolName	1-(2,1,3-benzothiadiazol-4-yl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]urea
MolecularFormula	C16H13N5OS
Smiles	O=C(Nc1cccc2nsnc12)N/N=C\C=C\c1ccccc1
InChI	InChI=1S/C16H13N5OS/c22-16(18-13-9-4-10-14-15(13)21-23-20-14)19-17-11-5-8-12-6-2-1-3-7-12/h1-11H,(H2,18,19,22)
InChIK	ITCDHVCYZHZXAC-UHFFFAOYSA-N
TotalMolweight	323.379
Molweight	323.379
MonoisotopicMass	323.08408
CLogP	3.7304
CLogS	-1.161
H Acceptors	6
H Donors	2
TotalSurfaceArea	253.01
Relative PSA	0.35481
PolarSurfaceArea	107.51
Druglikeness	5.305
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	2
StereoCon

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1 - 1-(2,1,3-benzothiadiazol-4-yl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]urea | 2 - 1-(2,1,3-benzothiadiazol-4-yl)-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]urea

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