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4-[4-(3-iodophenyl)-5-[4-[5-(3-iodophenyl)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]phenyl]-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one

Formula:C36H24N4O2I2 Mutagenic:low Tumorigenic:none Reproductive Effective:none 4-[4-(3-iodophenyl)-5-[4-[5-(3-iodophenyl)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]phenyl]-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one is not a drug-like molecule.
MolName4-[4-(3-iodophenyl)-5-[4-[5-(3-iodophenyl)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]phenyl]-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one
MolecularFormulaC36H24N4O2I2
SmilesO=C(C=C1)C=CC1=C1NC(c2cc(I)ccc2)=C(c(cc2)ccc2C(N2)=C(c3cccc(I)c3)NC2=C(C=C2)C=CC2=O)N1
InChIInChI=1S/C36H24I2N4O2/c37-27-5-1-3-25(19-27)33-31(39-35(41-33)23-11-15-29(43)16-12-23)21-7-9-22(10-8-21)32-34(26-4-2-6-28(38)20-26)42-36(40-32)24-13-17-30(44)18-14-24/h1-20,39-42H
InChIKYWGRNHCEWQMGQT-UHFFFAOYSA-N
TotalMolweight798.413
Molweight798.413
MonoisotopicMass797.998872
CLogP7.4506
CLogS-10.728
H Acceptors6
H Donors4
TotalSurfaceArea470.36
Relative PSA0.1529
PolarSurfaceArea82.26
Druglikeness-3.3522
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.45455
Fragments1
Non HAtoms44
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures7
Small Rings7
Aromatic Rings3
Aromatic Atoms18
Symmetricatoms25
BasicNitrogens4
StereoCon

Request More Details | 4-[4-(3-iodophenyl)-5-[4-[5-(3-iodophenyl)-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,3-dihydroimidazol-4-yl]phenyl]-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one


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