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[(E)-[amino-[1-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] 4-(trifluoromethoxy)benzoate

Formula:C18H13N2O3Cl2F3 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-[1-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] 4-(trifluoromethoxy)benzoate is not a drug-like molecule.
MolName[(E)-[amino-[1-(2,4-dichlorophenyl)cyclopropyl]methylidene]amino] 4-(trifluoromethoxy)benzoate
MolecularFormulaC18H13N2O3Cl2F3
SmilesN/C(/C1(CC1)c(ccc(Cl)c1)c1Cl)=N/OC(c(cc1)ccc1OC(F)(F)F)=O
InChIInChI=1S/C18H13Cl2F3N2O3/c19-11-3-6-13(14(20)9-11)17(7-8-17)16(24)25-28-15(26)10-1-4-12(5-2-10)27-18(21,22)23/h1-6,9H,7-8H2,(H2,24,25)
InChIKYURRZAHGNOBPEU-UHFFFAOYSA-N
TotalMolweight433.212
Molweight433.212
MonoisotopicMass432.025531
CLogP5.5045
CLogS-6.739
H Acceptors5
H Donors1
TotalSurfaceArea286.99
Relative PSA0.20844
PolarSurfaceArea73.91
Druglikeness-9.9332
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.60714
Fragments1
Non HAtoms28
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms6
Symmetricatoms5
StereoCon

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