1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-[2-(trifluoromethyl)phenyl]thiourea

Formula:C14H12N5F3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-[2-(trifluoromethyl)phenyl]thiourea is a drug-like molecule.

MolName	1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
MolecularFormula	C14H12N5F3S
Smiles	N/C(/c1ncccc1)=N/NC(Nc1c(C(F)(F)F)cccc1)=S
InChI	InChI=1S/C14H12F3N5S/c15-14(16,17)9-5-1-2-6-10(9)20-13(23)22-21-12(18)11-7-3-4-8-19-11/h1-8H,(H2,18,21)(H2,20,22,23)
InChIK	LLSXZVOEHLHWMQ-UHFFFAOYSA-N
TotalMolweight	339.344
Molweight	339.344
MonoisotopicMass	339.076549
CLogP	2.6476
CLogS	-4.093
H Acceptors	5
H Donors	3
TotalSurfaceArea	248.36
Relative PSA	0.35702
PolarSurfaceArea	107.42
Druglikeness	-6.0996
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.56522
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	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - 1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-[2-(trifluoromethyl)phenyl]thiourea | 2 - 1-[(E)-[amino(pyridin-2-yl)methylidene]amino]-3-[2-(trifluoromethyl)phenyl]thiourea

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