1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea

Formula:C17H13N4OClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea is a drug-like molecule.

MolName	1-[5-[(E)-2-(2-chlorophenyl)ethenyl]-1,3,4-thiadiazol-2-yl]-3-phenylurea
MolecularFormula	C17H13N4OClS
Smiles	O=C(Nc1nnc(/C=C/c(cccc2)c2Cl)s1)Nc1ccccc1
InChI	InChI=1S/C17H13ClN4OS/c18-14-9-5-4-6-12(14)10-11-15-21-22-17(24-15)20-16(23)19-13-7-2-1-3-8-13/h1-11H,(H2,19,20,22,23)
InChIK	DKXKPCNWTYIXHK-UHFFFAOYSA-N
TotalMolweight	356.836
Molweight	356.836
MonoisotopicMass	356.049858
CLogP	4.457
CLogS	-5.723
H Acceptors	5
H Donors	2
TotalSurfaceArea	268.83
Relative PSA	0.29111
PolarSurfaceArea	95.15
Druglikeness	3.4275
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Amides	2
Aromatic Nitrogens	2
StereoCon

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