2-hydroxy-N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]-2,2-diphenylacetamide

Formula:C25H20N3O2I Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-hydroxy-N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]-2,2-diphenylacetamide is not a drug-like molecule.

MolName2-hydroxy-N-[(Z)-[1-(4-iodophenyl)pyrrol-2-yl]methylideneamino]-2,2-diphenylacetamide
MolecularFormulaC25H20N3O2I
SmilesOC(C(N/N=C\c1cccn1-c(cc1)ccc1I)=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H20IN3O2/c26-21-13-15-22(16-14-21)29-17-7-12-23(29)18-27-28-24(30)25(31,19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-18,31H,(H,28,30)
InChIKPRTDXNLJPSYZKI-UHFFFAOYSA-N
TotalMolweight521.353
Molweight521.353
MonoisotopicMass521.060025
CLogP4.1579
CLogS-7.78
H Acceptors5
H Donors2
TotalSurfaceArea338.75
Relative PSA0.16525
PolarSurfaceArea66.62
Druglikeness6.8179
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.51613
Fragments1
Non HAtoms31
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms2
Symmetricatoms10
Aromatic Nitrogens1
StereoCon

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