1-(2,4-difluorophenyl)-3-[(Z)-(3-oxocyclohexylidene)amino]thiourea

Formula:C13H13N3OF2S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-(2,4-difluorophenyl)-3-[(Z)-(3-oxocyclohexylidene)amino]thiourea is a drug-like molecule.

MolName	1-(2,4-difluorophenyl)-3-[(Z)-(3-oxocyclohexylidene)amino]thiourea
MolecularFormula	C13H13N3OF2S
Smiles	O=C(CCC1)C/C1=N\NC(Nc(ccc(F)c1)c1F)=S
InChI	InChI=1S/C13H13F2N3OS/c14-8-4-5-12(11(15)6-8)16-13(20)18-17-9-2-1-3-10(19)7-9/h4-6H,1-3,7H2,(H2,16,18,20)
InChIK	YQRHTABSLHLPBM-UHFFFAOYSA-N
TotalMolweight	297.328
Molweight	297.328
MonoisotopicMass	297.074738
CLogP	2.8361
CLogS	-4.463
H Acceptors	4
H Donors	2
TotalSurfaceArea	223.85
Relative PSA	0.33715
PolarSurfaceArea	85.58
Druglikeness	-4.0843
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
StereoCon

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