4-chloro-N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide

Formula:C30H23N3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide is not a drug-like molecule.

MolName4-chloro-N'-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide
MolecularFormulaC30H23N3Cl
SmilesN/C(/c(cc1)ccc1Cl)=N/[n+](c(-c1ccccc1)cc(-c1ccccc1)c1)c1-c1ccccc1
InChIInChI=1S/C30H23ClN3/c31-27-18-16-25(17-19-27)30(32)33-34-28(23-12-6-2-7-13-23)20-26(22-10-4-1-5-11-22)21-29(34)24-14-8-3-9-15-24/h1-21H,(H2,32,33)/q+1
InChIKSCMOCONSPZYQDE-UHFFFAOYSA-N
TotalMolweight460.987
Molweight460.987
MonoisotopicMass460.158049
CLogP6.2573
CLogS-10.708
H Acceptors3
H Donors1
TotalSurfaceArea356.51
Relative PSA0.082859
PolarSurfaceArea42.26
Druglikeness-1.4291
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.44118
Fragments1
Non HAtoms34
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond5
Rings Closures5
Small Rings5
Aromatic Rings5
Aromatic Atoms30
Symmetricatoms14
Aromatic Nitrogens1
BasicNitrogens1
StereoCon

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