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(8E)-8-[(4-nitrophenyl)methylidene]-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium

Formula:C28H22NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (8E)-8-[(4-nitrophenyl)methylidene]-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium is not a drug-like molecule.
MolName(8E)-8-[(4-nitrophenyl)methylidene]-2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium
MolecularFormulaC28H22NO3
Smiles[O-][N+](c1ccc(/C=C2/c3[o+]c(-c4ccccc4)cc(-c4ccccc4)c3CCC2)cc1)=O
InChIInChI=1S/C28H22NO3/c30-29(31)24-16-14-20(15-17-24)18-23-12-7-13-25-26(21-8-3-1-4-9-21)19-27(32-28(23)25)22-10-5-2-6-11-22/h1-6,8-11,14-19H,7,12-13H2/q+1
InChIKXWPPLEYRKMFEBL-UHFFFAOYSA-N
TotalMolweight420.487
Molweight420.487
MonoisotopicMass420.159969
CLogP5.4948
CLogS-8.257
H Acceptors4
TotalSurfaceArea316.49
Relative PSA0.096117
PolarSurfaceArea45.82
Druglikeness-12.706
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; pyrylium
Shape Index0.46875
Fragments1
Non HAtoms32
NonCHAtoms4
Electronegative Atoms4
Rotatable Bond4
Rings Closures5
Small Rings5
Aromatic Rings4
Aromatic Atoms24
Sp3Atoms4
Symmetricatoms6
AcidicOxygens1
StereoCon

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