4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2-nitrophenolate

Formula:C16H10N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2-nitrophenolate is a drug-like molecule.

MolName	4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2-nitrophenolate
MolecularFormula	C16H10N3O5
Smiles	[O-]c(ccc(/C=C(/C(N1c2ccccc2)=O)\NC1=O)c1)c1[N+]([O-])=O
InChI	InChI=1S/C16H11N3O5/c20-14-7-6-10(9-13(14)19(23)24)8-12-15(21)18(16(22)17-12)11-4-2-1-3-5-11/h1-9,20H,(H,17,22)/p-1
InChIK	JZYPJKKITHIXQI-UHFFFAOYSA-M
TotalMolweight	324.271
Molweight	324.271
MonoisotopicMass	324.062047
CLogP	-0.2289
CLogS	-4.383
H Acceptors	8
H Donors	1
TotalSurfaceArea	232.69
Relative PSA	0.36869
PolarSurfaceArea	118.29
Druglikeness	-1.29
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2-nitrophenolate | 2 - 4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2-nitrophenolate

Request More Details | 4-[(Z)-(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-2-nitrophenolate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments