1-(4-chlorophenyl)-3-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]urea

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

MolName	1-(4-chlorophenyl)-3-[5-[(E)-2-phenylethenyl]-1,3,4-thiadiazol-2-yl]urea
MolecularFormula	C17H13N4OClS
Smiles	O=C(Nc1nnc(/C=C/c2ccccc2)s1)Nc(cc1)ccc1Cl
InChI	InChI=1S/C17H13ClN4OS/c18-13-7-9-14(10-8-13)19-16(23)20-17-22-21-15(24-17)11-6-12-4-2-1-3-5-12/h1-11H,(H2,19,20,22,23)
InChIK	ZXXPCZJLWGPCBK-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	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70833
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	4
Amides	2
Aromatic Nitrogens	2
StereoCon

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