1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea

Formula:C19H17N3ClF3S Mutagenic:high Tumorigenic:none Reproductive Effective:high 1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea is not a drug-like molecule.

MolName	1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[(Z)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
MolecularFormula	C19H17N3ClF3S
Smiles	FC(c(cc1)cc(NC(N/N=C(/CCCC2)\c3c2cccc3)=S)c1Cl)(F)F
InChI	InChI=1S/C19H17ClF3N3S/c20-15-10-9-13(19(21,22)23)11-17(15)24-18(27)26-25-16-8-4-2-6-12-5-1-3-7-14(12)16/h1,3,5,7,9-11H,2,4,6,8H2,(H2,24,26,27)
InChIK	CDZPSNCFCKGRRR-UHFFFAOYSA-N
TotalMolweight	411.878
Molweight	411.878
MonoisotopicMass	411.078378
CLogP	6.0612
CLogS	-7.054
H Acceptors	3
H Donors	2
TotalSurfaceArea	298.04
Relative PSA	0.20947
PolarSurfaceArea	68.51
Druglikeness	-10.904
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions	thio-amide/urea
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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