1-(5-chloro-2-fluorophenyl)-3-[(E)-2-thiophen-3-ylethenyl]urea

Formula:C13H10N2OClFS Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(5-chloro-2-fluorophenyl)-3-[(E)-2-thiophen-3-ylethenyl]urea is a drug-like molecule.

MolName	1-(5-chloro-2-fluorophenyl)-3-[(E)-2-thiophen-3-ylethenyl]urea
MolecularFormula	C13H10N2OClFS
Smiles	O=C(N/C=C/c1cscc1)Nc(cc(cc1)Cl)c1F
InChI	InChI=1S/C13H10ClFN2OS/c14-10-1-2-11(15)12(7-10)17-13(18)16-5-3-9-4-6-19-8-9/h1-8H,(H2,16,17,18)
InChIK	GWXABNZUXSTVMW-UHFFFAOYSA-N
TotalMolweight	296.752
Molweight	296.752
MonoisotopicMass	296.018638
CLogP	3.3142
CLogS	-5.109
H Acceptors	3
H Donors	2
TotalSurfaceArea	217.9
Relative PSA	0.25847
PolarSurfaceArea	69.37
Druglikeness	-0.21657
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Amides	2
StereoCon

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