[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino]urea

Formula:C14H10N4OClF3 Mutagenic:none Tumorigenic:high Reproductive Effective:low [(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino]urea is a drug-like molecule.

MolName	[(E)-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-phenylmethylidene]amino]urea
MolecularFormula	C14H10N4OClF3
Smiles	NC(N/N=C(\c1ccccc1)/c(ncc(C(F)(F)F)c1)c1Cl)=O
InChI	InChI=1S/C14H10ClF3N4O/c15-10-6-9(14(16,17)18)7-20-12(10)11(21-22-13(19)23)8-4-2-1-3-5-8/h1-7H,(H3,19,22,23)
InChIK	HCMZEAIMLAJJPB-UHFFFAOYSA-N
TotalMolweight	342.707
Molweight	342.707
MonoisotopicMass	342.049522
CLogP	2.8394
CLogS	-5.333
H Acceptors	5
H Donors	2
TotalSurfaceArea	237.36
Relative PSA	0.26226
PolarSurfaceArea	80.37
Druglikeness	-3.9742
Mutagenic	none
Tumorigenic	high
Reproductive Effective	low
Irritant	high
Nasty Functions
Shape Index	0.47826
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Amides	1
Aromatic Nitrogens	1
StereoCon

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