N-[(E)-5,6-dihydrothieno[2,3-b]thiopyran-4-ylideneamino]-3,5-bis(trifluoromethyl)aniline

Formula:C15H10N2F6S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-5,6-dihydrothieno[2,3-b]thiopyran-4-ylideneamino]-3,5-bis(trifluoromethyl)aniline is not a drug-like molecule.

MolName	N-[(E)-5,6-dihydrothieno[2,3-b]thiopyran-4-ylideneamino]-3,5-bis(trifluoromethyl)aniline
MolecularFormula	C15H10N2F6S2
Smiles	FC(c1cc(N/N=C2/c(ccs3)c3SCC2)cc(C(F)(F)F)c1)(F)F
InChI	InChI=1S/C15H10F6N2S2/c16-14(17,18)8-5-9(15(19,20)21)7-10(6-8)22-23-12-2-4-25-13-11(12)1-3-24-13/h1,3,5-7,22H,2,4H2
InChIK	BQNISEZITOGSCT-UHFFFAOYSA-N
TotalMolweight	396.378
Molweight	396.378
MonoisotopicMass	396.018956
CLogP	6.232
CLogS	-5.878
H Acceptors	2
H Donors	1
TotalSurfaceArea	253.82
Relative PSA	0.23962
PolarSurfaceArea	77.93
Druglikeness	-5.1501
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.44
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	8
StereoCon

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1 - N-[(E)-5,6-dihydrothieno[2,3-b]thiopyran-4-ylideneamino]-3,5-bis(trifluoromethyl)aniline | 2 - N-[(E)-5,6-dihydrothieno[2,3-b]thiopyran-4-ylideneamino]-3,5-bis(trifluoromethyl)aniline

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