(Z)-1-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine

Formula:C19H16N5OBr Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName(Z)-1-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormulaC19H16N5OBr
SmilesBrc(cc1)ccc1OCCn1c(cccc2)c2c(/C=N\n2cnnc2)c1
InChIInChI=1S/C19H16BrN5O/c20-16-5-7-17(8-6-16)26-10-9-24-12-15(11-23-25-13-21-22-14-25)18-3-1-2-4-19(18)24/h1-8,11-14H,9-10H2
InChIKSETVONDIFFPVAE-UHFFFAOYSA-N
TotalMolweight410.274
Molweight410.274
MonoisotopicMass409.053821
CLogP3.4004
CLogS-6.287
H Acceptors6
TotalSurfaceArea284.21
Relative PSA0.20122
PolarSurfaceArea57.23
Druglikeness3.4096
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms3
Symmetricatoms4
Aromatic Nitrogens4
StereoCon

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