2-chloro-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)aniline

Formula:C21H18N4OClF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-chloro-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)aniline is not a drug-like molecule.

MolName	2-chloro-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]-4-(trifluoromethyl)aniline
MolecularFormula	C21H18N4OClF3S
Smiles	FC(c(cc1)cc(Cl)c1N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1)(F)F
InChI	InChI=1S/C21H18ClF3N4OS/c22-16-12-15(21(23,24)25)6-7-17(16)28-26-13-18-19(14-4-2-1-3-5-14)27-20(31-18)29-8-10-30-11-9-29/h1-7,12-13,28H,8-11H2
InChIK	IALRAQBSTUYHSJ-UHFFFAOYSA-N
TotalMolweight	466.914
Molweight	466.914
MonoisotopicMass	466.084192
CLogP	7.4219
CLogS	-6.387
H Acceptors	5
H Donors	1
TotalSurfaceArea	330.42
Relative PSA	0.20534
PolarSurfaceArea	77.99
Druglikeness	-2.54
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	imine/hydrazone of aldehyde
Shape Index	0.51613
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	6
Symmetricatoms	6
Aromatic Nitrogens	1
StereoCon

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