1-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea

Formula:C20H12N3OF3S Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea is not a drug-like molecule.

MolName	1-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]-3-[2-(trifluoromethyl)phenyl]thiourea
MolecularFormula	C20H12N3OF3S
Smiles	O=C(c1c(c2ccc3)c3ccc1)/C2=N/NC(Nc1c(C(F)(F)F)cccc1)=S
InChI	InChI=1S/C20H12F3N3OS/c21-20(22,23)14-9-1-2-10-15(14)24-19(28)26-25-17-12-7-3-5-11-6-4-8-13(16(11)12)18(17)27/h1-10H,(H2,24,26,28)
InChIK	KCPXCJQLGXXNRY-UHFFFAOYSA-N
TotalMolweight	399.395
Molweight	399.395
MonoisotopicMass	399.065316
CLogP	5.0728
CLogS	-7.295
H Acceptors	4
H Donors	2
TotalSurfaceArea	279.93
Relative PSA	0.2696
PolarSurfaceArea	85.58
Druglikeness	-4.7682
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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