(Z)-N-[(3,4-dichlorophenyl)methoxy]-1-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methanimine

Formula:C22H15N2O3Cl2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-[(3,4-dichlorophenyl)methoxy]-1-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methanimine is not a drug-like molecule.

MolName	(Z)-N-[(3,4-dichlorophenyl)methoxy]-1-[3-nitro-4-[[3-(trifluoromethyl)phenyl]methylsulfanyl]phenyl]methanimine
MolecularFormula	C22H15N2O3Cl2F3S
Smiles	[O-][N+](c(cc(/C=N\OCc(cc1)cc(Cl)c1Cl)cc1)c1SCc1cc(C(F)(F)F)ccc1)=O
InChI	InChI=1S/C22H15Cl2F3N2O3S/c23-18-6-4-15(9-19(18)24)12-32-28-11-14-5-7-21(20(10-14)29(30)31)33-13-16-2-1-3-17(8-16)22(25,26)27/h1-11H,12-13H2
InChIK	UQLYCVMQVHUBHO-UHFFFAOYSA-N
TotalMolweight	515.338
Molweight	515.338
MonoisotopicMass	514.013251
CLogP	6.9358
CLogS	-8.781
H Acceptors	5
TotalSurfaceArea	356.52
Relative PSA	0.19472
PolarSurfaceArea	92.71
Druglikeness	-11.6
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60606
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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