7-amino-5-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile

Formula:C14H8N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:high 7-amino-5-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile is a drug-like molecule.

MolName	7-amino-5-(4-nitrophenyl)-4-oxo-2-sulfanylidene-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
MolecularFormula	C14H8N6O3S
Smiles	Nc(c(C#N)c1-c(cc2)ccc2[N+]([O-])=O)nc(NC(N2)=S)c1C2=O
InChI	InChI=1S/C14H8N6O3S/c15-5-8-9(6-1-3-7(4-2-6)20(22)23)10-12(17-11(8)16)18-14(24)19-13(10)21/h1-4H,(H4,16,17,18,19,21,24)
InChIK	ICEZMYSEXNPJMI-UHFFFAOYSA-N
TotalMolweight	340.323
Molweight	340.323
MonoisotopicMass	340.037859
CLogP	0.4703
CLogS	-6.237
H Acceptors	9
H Donors	3
TotalSurfaceArea	245.56
Relative PSA	0.54642
PolarSurfaceArea	181.74
Druglikeness	-8.8563
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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