1-(3-chlorophenyl)-3-[(E)-2-thiophen-3-ylethenyl]urea

Formula:C13H11N2OClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(3-chlorophenyl)-3-[(E)-2-thiophen-3-ylethenyl]urea is a drug-like molecule.

MolName	1-(3-chlorophenyl)-3-[(E)-2-thiophen-3-ylethenyl]urea
MolecularFormula	C13H11N2OClS
Smiles	O=C(N/C=C/c1cscc1)Nc1cccc(Cl)c1
InChI	InChI=1S/C13H11ClN2OS/c14-11-2-1-3-12(8-11)16-13(17)15-6-4-10-5-7-18-9-10/h1-9H,(H2,15,16,17)
InChIK	XTJFEPLLPZHVTO-UHFFFAOYSA-N
TotalMolweight	278.762
Molweight	278.762
MonoisotopicMass	278.02806
CLogP	3.2134
CLogS	-4.795
H Acceptors	3
H Donors	2
TotalSurfaceArea	211.55
Relative PSA	0.26623
PolarSurfaceArea	69.37
Druglikeness	1.1234
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Amides	2
StereoCon

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