4-chloro-2-[(Z)-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]-6-nitrophenolate

Formula:C15H14N4O5Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-chloro-2-[(Z)-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]-6-nitrophenolate is a drug-like molecule.

MolName	4-chloro-2-[(Z)-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)iminomethyl]-6-nitrophenolate
MolecularFormula	C15H14N4O5Cl
Smiles	[O-]c(c(/C=N\N(C(C1(CCCCC1)N1)=O)C1=O)cc(Cl)c1)c1[N+]([O-])=O
InChI	InChI=1S/C15H15ClN4O5/c16-10-6-9(12(21)11(7-10)20(24)25)8-17-19-13(22)15(18-14(19)23)4-2-1-3-5-15/h6-8,21H,1-5H2,(H,18,23)/p-1
InChIK	IWULDMAQXGZCGN-UHFFFAOYSA-M
TotalMolweight	365.752
Molweight	365.752
MonoisotopicMass	365.065273
CLogP	-0.0885
CLogS	-4.636
H Acceptors	9
H Donors	1
TotalSurfaceArea	254.11
Relative PSA	0.38291
PolarSurfaceArea	130.65
Druglikeness	-3.4588
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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