5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula:C11H7N3O5S Mutagenic:high Tumorigenic:none Reproductive Effective:high 5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione is a drug-like molecule.

MolName	5-[(4-hydroxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
MolecularFormula	C11H7N3O5S
Smiles	[O-][N+](c(cc(C=C(C(NC(N1)=S)=O)C1=O)cc1)c1O)=O
InChI	InChI=1S/C11H7N3O5S/c15-8-2-1-5(4-7(8)14(18)19)3-6-9(16)12-11(20)13-10(6)17/h1-4,15H,(H2,12,13,16,17,20)
InChIK	JKDXBXPULYPDTB-UHFFFAOYSA-N
TotalMolweight	293.259
Molweight	293.259
MonoisotopicMass	293.010642
CLogP	-0.4995
CLogS	-2.652
H Acceptors	8
H Donors	3
TotalSurfaceArea	205.62
Relative PSA	0.58613
PolarSurfaceArea	156.34
Druglikeness	-2.3759
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; thio-amide/urea
Shape Index	0.55
Fragments	1
Non HAtoms	20
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	3
Symmetricatoms	3
Amides	2
AcidicOxygens	1
StereoCon

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