4-chloro-2-[(Z)-morpholin-4-yliminomethyl]-6-nitrophenolate

Formula:C11H11N3O4Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-chloro-2-[(Z)-morpholin-4-yliminomethyl]-6-nitrophenolate is a drug-like molecule.

MolName	4-chloro-2-[(Z)-morpholin-4-yliminomethyl]-6-nitrophenolate
MolecularFormula	C11H11N3O4Cl
Smiles	[O-]c(c(/C=N\N1CCOCC1)cc(Cl)c1)c1[N+]([O-])=O
InChI	InChI=1S/C11H12ClN3O4/c12-9-5-8(11(16)10(6-9)15(17)18)7-13-14-1-3-19-4-2-14/h5-7,16H,1-4H2/p-1
InChIK	KTBNANPMPYLFDB-UHFFFAOYSA-M
TotalMolweight	284.678
Molweight	284.678
MonoisotopicMass	284.043809
CLogP	-0.7478
CLogS	-2.731
H Acceptors	7
TotalSurfaceArea	206.48
Relative PSA	0.33785
PolarSurfaceArea	93.71
Druglikeness	-2.3042
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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