2-[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]acetate

Formula:C25H20N3O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]acetate is a drug-like molecule.

MolName2-[3-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]indol-1-yl]acetate
MolecularFormulaC25H20N3O4
Smiles[O-]C(Cn1c(cccc2)c2c(/C=N\NC(C(c2ccccc2)(c2ccccc2)O)=O)c1)=O
InChIInChI=1S/C25H21N3O4/c29-23(30)17-28-16-18(21-13-7-8-14-22(21)28)15-26-27-24(31)25(32,19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-16,32H,17H2,(H,27,31)(H,29,30)/p-1
InChIKXMOFWDLCLBHPPF-UHFFFAOYSA-M
TotalMolweight426.451
Molweight426.451
MonoisotopicMass426.145382
CLogP0.5578
CLogS-4.095
H Acceptors7
H Donors2
TotalSurfaceArea326.35
Relative PSA0.25525
PolarSurfaceArea106.75
Druglikeness-3.2683
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.46875
Fragments1
Non HAtoms32
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms21
Sp3Atoms4
Symmetricatoms8
Aromatic Nitrogens1
AcidicOxygens1
StereoCon

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