(E)-N-[(4-chlorophenyl)methoxy]-1-cyclopropyl-1-[1-(3,4-dichlorophenyl)triazol-4-yl]methanimine

Formula:C19H15N4OCl3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-N-[(4-chlorophenyl)methoxy]-1-cyclopropyl-1-[1-(3,4-dichlorophenyl)triazol-4-yl]methanimine is a drug-like molecule.

MolName(E)-N-[(4-chlorophenyl)methoxy]-1-cyclopropyl-1-[1-(3,4-dichlorophenyl)triazol-4-yl]methanimine
MolecularFormulaC19H15N4OCl3
SmilesClc1ccc(CO/N=C(\C2CC2)/c2cn(-c(cc3)cc(Cl)c3Cl)nn2)cc1
InChIInChI=1S/C19H15Cl3N4O/c20-14-5-1-12(2-6-14)11-27-24-19(13-3-4-13)18-10-26(25-23-18)15-7-8-16(21)17(22)9-15/h1-2,5-10,13H,3-4,11H2
InChIKSSURGDUPOCTHOB-UHFFFAOYSA-N
TotalMolweight421.714
Molweight421.714
MonoisotopicMass420.031142
CLogP4.7781
CLogS-6.474
H Acceptors5
TotalSurfaceArea299.01
Relative PSA0.16829
PolarSurfaceArea52.3
Druglikeness-0.59326
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functions
Shape Index0.62963
Fragments1
Non HAtoms27
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms5
Symmetricatoms3
Aromatic Nitrogens3
StereoCon

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