1-benzyl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea

Formula:C18H16N3OF3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-benzyl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea is a drug-like molecule.

MolName	1-benzyl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea
MolecularFormula	C18H16N3OF3S
Smiles	O=C(/C=C/c1cc(C(F)(F)F)ccc1)NNC(NCc1ccccc1)=S
InChI	InChI=1S/C18H16F3N3OS/c19-18(20,21)15-8-4-7-13(11-15)9-10-16(25)23-24-17(26)22-12-14-5-2-1-3-6-14/h1-11H,12H2,(H,23,25)(H2,22,24,26)
InChIK	YUPOFJZKHLCKKO-UHFFFAOYSA-N
TotalMolweight	379.405
Molweight	379.405
MonoisotopicMass	379.096616
CLogP	2.8951
CLogS	-4.874
H Acceptors	4
H Donors	3
TotalSurfaceArea	287.58
Relative PSA	0.26226
PolarSurfaceArea	85.25
Druglikeness	-5.9522
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
StereoCon

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1 - 1-benzyl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea | 2 - 1-benzyl-3-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]thiourea

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