1-(2,4-difluorophenyl)-3-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea

Formula:C19H11N3OF2S Mutagenic:high Tumorigenic:high Reproductive Effective:high 1-(2,4-difluorophenyl)-3-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea is a drug-like molecule.

MolName	1-(2,4-difluorophenyl)-3-[(E)-(2-oxoacenaphthylen-1-ylidene)amino]thiourea
MolecularFormula	C19H11N3OF2S
Smiles	O=C(c1c(c2ccc3)c3ccc1)/C2=N/NC(Nc(ccc(F)c1)c1F)=S
InChI	InChI=1S/C19H11F2N3OS/c20-11-7-8-15(14(21)9-11)22-19(26)24-23-17-12-5-1-3-10-4-2-6-13(16(10)12)18(17)25/h1-9H,(H2,22,24,26)
InChIK	QQRNXWREHPABET-UHFFFAOYSA-N
TotalMolweight	367.378
Molweight	367.378
MonoisotopicMass	367.059088
CLogP	4.4261
CLogS	-7.145
H Acceptors	4
H Donors	2
TotalSurfaceArea	263.17
Relative PSA	0.28677
PolarSurfaceArea	85.58
Druglikeness	1.0818
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	1
StereoCon

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