1-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea

Formula:C15H14N3F3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea is a drug-like molecule.

MolName	1-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
MolecularFormula	C15H14N3F3S
Smiles	FC(c(cccc1)c1NC(N/N=C1/C2C=CCC2C1)=S)(F)F
InChI	InChI=1S/C15H14F3N3S/c16-15(17,18)11-6-1-2-7-12(11)19-14(22)21-20-13-8-9-4-3-5-10(9)13/h1-3,5-7,9-10H,4,8H2,(H2,19,21,22)
InChIK	KEWKHWSOEKBVJT-UHFFFAOYSA-N
TotalMolweight	325.357
Molweight	325.357
MonoisotopicMass	325.086051
CLogP	3.8192
CLogS	-4.869
H Acceptors	3
H Donors	2
TotalSurfaceArea	233.34
Relative PSA	0.26755
PolarSurfaceArea	68.51
Druglikeness	-6.6538
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	2
Rotatable Bond	3
Rings Closures	3
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
StereoCon	unknown chirality

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1 - 1-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea | 2 - 1-[(E)-6-bicyclo[3.2.0]hept-3-enylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea

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