[(Z)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1-(4-nitrophenyl)ethenyl] 4-nitrobenzoate

Formula:C25H17N4O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1-(4-nitrophenyl)ethenyl] 4-nitrobenzoate is not a drug-like molecule.

MolName	[(Z)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1-(4-nitrophenyl)ethenyl] 4-nitrobenzoate
MolecularFormula	C25H17N4O6Cl
Smiles	[O-][N+](c(cc1)ccc1/C(/OC(c(cc1)ccc1[N+]([O-])=O)=O)=C/c1nccn1Cc(cc1)ccc1Cl)=O
InChI	InChI=1S/C25H17ClN4O6/c26-20-7-1-17(2-8-20)16-28-14-13-27-24(28)15-23(18-3-9-21(10-4-18)29(32)33)36-25(31)19-5-11-22(12-6-19)30(34)35/h1-15H,16H2
InChIK	GBIGIDKAKNELOO-UHFFFAOYSA-N
TotalMolweight	504.885
Molweight	504.885
MonoisotopicMass	504.083663
CLogP	3.2223
CLogS	-5.073
H Acceptors	10
TotalSurfaceArea	369.48
Relative PSA	0.27531
PolarSurfaceArea	135.76
Druglikeness	-2.9123
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.5
Fragments	1
Non HAtoms	36
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	6
Aromatic Nitrogens	2
BasicNitrogens	1
AcidicOxygens	2
StereoCon

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1 - [(Z)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1-(4-nitrophenyl)ethenyl] 4-nitrobenzoate | 2 - [(Z)-2-[1-[(4-chlorophenyl)methyl]imidazol-2-yl]-1-(4-nitrophenyl)ethenyl] 4-nitrobenzoate

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