[(E)-(2-oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea

Formula:C13H11N5OS Mutagenic:low Tumorigenic:high Reproductive Effective:none [(E)-(2-oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea is a drug-like molecule.

MolName	[(E)-(2-oxo-1,2-dipyridin-2-ylethylidene)amino]thiourea
MolecularFormula	C13H11N5OS
Smiles	NC(N/N=C(/C(c1ncccc1)=O)\c1ncccc1)=S
InChI	InChI=1S/C13H11N5OS/c14-13(20)18-17-11(9-5-1-3-7-15-9)12(19)10-6-2-4-8-16-10/h1-8H,(H3,14,18,20)
InChIK	ROYMGMZWTFFYMS-UHFFFAOYSA-N
TotalMolweight	285.33
Molweight	285.33
MonoisotopicMass	285.06843
CLogP	0.1297
CLogS	-3.032
H Acceptors	6
H Donors	2
TotalSurfaceArea	223.95
Relative PSA	0.45198
PolarSurfaceArea	125.35
Druglikeness	2.4248
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.5
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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