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

Formula:C18H14N5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine is a drug-like molecule.

MolName(Z)-1-[1-[(2-chlorophenyl)methyl]indol-3-yl]-N-(1,2,4-triazol-4-yl)methanimine
MolecularFormulaC18H14N5Cl
SmilesClc1c(Cn2c(cccc3)c3c(/C=N\n3cnnc3)c2)cccc1
InChIInChI=1S/C18H14ClN5/c19-17-7-3-1-5-14(17)10-23-11-15(9-22-24-12-20-21-13-24)16-6-2-4-8-18(16)23/h1-9,11-13H,10H2
InChIKCUAMOBLTMWJYBL-UHFFFAOYSA-N
TotalMolweight335.797
Molweight335.797
MonoisotopicMass335.093772
CLogP3.364
CLogS-6.024
H Acceptors5
TotalSurfaceArea257.24
Relative PSA0.18345
PolarSurfaceArea48
Druglikeness5.263
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.54167
Fragments1
Non HAtoms24
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms20
Sp3Atoms1
Symmetricatoms2
Aromatic Nitrogens4
StereoCon

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