4-chloro-2-nitro-6-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenolate

Formula:C19H10N4O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-chloro-2-nitro-6-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenolate is a drug-like molecule.

MolName	4-chloro-2-nitro-6-[(Z)-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)iminomethyl]phenolate
MolecularFormula	C19H10N4O4ClS
Smiles	[O-]c(c(/C=N\N(C=Nc1c2c(-c3ccccc3)cs1)C2=O)cc(Cl)c1)c1[N+]([O-])=O
InChI	InChI=1S/C19H11ClN4O4S/c20-13-6-12(17(25)15(7-13)24(27)28)8-22-23-10-21-18-16(19(23)26)14(9-29-18)11-4-2-1-3-5-11/h1-10,25H/p-1
InChIK	FLRWJQQAWJEDGI-UHFFFAOYSA-M
TotalMolweight	425.831
Molweight	425.831
MonoisotopicMass	425.011128
CLogP	1.8659
CLogS	-6.835
H Acceptors	8
TotalSurfaceArea	299.41
Relative PSA	0.34959
PolarSurfaceArea	142.15
Druglikeness	0.64328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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