(5E)-5-[(4-chlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Formula:C17H10N3O5Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(4-chlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione is a drug-like molecule.

MolName	(5E)-5-[(4-chlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
MolecularFormula	C17H10N3O5Cl
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/C(N1)=O)=C/c(cc2)ccc2Cl)=O)C1=O)=O
InChI	InChI=1S/C17H10ClN3O5/c18-11-3-1-10(2-4-11)9-14-15(22)19-17(24)20(16(14)23)12-5-7-13(8-6-12)21(25)26/h1-9H,(H,19,22,24)
InChIK	PKOZJOLYJKPKOL-UHFFFAOYSA-N
TotalMolweight	371.735
Molweight	371.735
MonoisotopicMass	371.030899
CLogP	1.8398
CLogS	-5.083
H Acceptors	8
H Donors	1
TotalSurfaceArea	258.33
Relative PSA	0.32729
PolarSurfaceArea	112.3
Druglikeness	-0.28522
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (5E)-5-[(4-chlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione | 2 - (5E)-5-[(4-chlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

Request More Details | (5E)-5-[(4-chlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments