7-amino-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-5,6-dicarbonitrile

Formula:C9H4N6O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-amino-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-5,6-dicarbonitrile is a drug-like molecule.

MolName	7-amino-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-5,6-dicarbonitrile
MolecularFormula	C9H4N6O2
Smiles	Nc(c(C#N)c1C#N)nc(NC(N2)=O)c1C2=O
InChI	InChI=1S/C9H4N6O2/c10-1-3-4(2-11)6(12)13-7-5(3)8(16)15-9(17)14-7/h(H4,12,13,14,15,16,17)
InChIK	TYXQOPKFPGZANV-UHFFFAOYSA-N
TotalMolweight	228.171
Molweight	228.171
MonoisotopicMass	228.039574
CLogP	-0.7922
CLogS	-4.38
H Acceptors	8
H Donors	3
TotalSurfaceArea	168.88
Relative PSA	0.60611
PolarSurfaceArea	144.69
Druglikeness	-2.7856
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	8
Electronegative Atoms	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Amides	2
Aromatic Nitrogens	1
StereoCon

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