3-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

Formula:C15H16N4O4 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione is a drug-like molecule.

MolName	3-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
MolecularFormula	C15H16N4O4
Smiles	[O-][N+](c1c(/C=N\N(C(C2(CCCCC2)N2)=O)C2=O)cccc1)=O
InChI	InChI=1S/C15H16N4O4/c20-13-15(8-4-1-5-9-15)17-14(21)18(13)16-10-11-6-2-3-7-12(11)19(22)23/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,21)
InChIK	CTUSTYOFEMKFAL-UHFFFAOYSA-N
TotalMolweight	316.316
Molweight	316.316
MonoisotopicMass	316.117156
CLogP	1.2292
CLogS	-4.196
H Acceptors	8
H Donors	1
TotalSurfaceArea	231.16
Relative PSA	0.35915
PolarSurfaceArea	107.59
Druglikeness	-3.5028
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione | 2 - 3-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

Request More Details | 3-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments