N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline

Formula:C23H12N3Cl2F7 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline is not a drug-like molecule.

MolNameN-[(E)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
MolecularFormulaC23H12N3Cl2F7
SmilesFC(c(c(F)c(c(N/N=C/c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2)c1F)F)c1F)(F)F
InChIInChI=1S/C23H12Cl2F7N3/c24-13-6-5-11(15(25)7-13)9-35-10-12(14-3-1-2-4-16(14)35)8-33-34-22-20(28)18(26)17(23(30,31)32)19(27)21(22)29/h1-8,10,34H,9H2
InChIKYTDONTYBJJWRCK-UHFFFAOYSA-N
TotalMolweight534.261
Molweight534.261
MonoisotopicMass533.029647
CLogP8.8341
CLogS-7.633
H Acceptors3
H Donors1
TotalSurfaceArea352.26
Relative PSA0.08471
PolarSurfaceArea29.32
Druglikeness-2.8061
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index0.51429
Fragments1
Non HAtoms35
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms3
Symmetricatoms6
Aromatic Nitrogens1
StereoCon

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