[(Z)-[4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methylideneamino]thiourea

Formula:C12H9N7O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [(Z)-[4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methylideneamino]thiourea is a drug-like molecule.

MolName	[(Z)-[4-(6-cyano-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methylideneamino]thiourea
MolecularFormula	C12H9N7O2S
Smiles	NC(N/N=C\c(cc1)ccc1N(C(NC1=O)=O)N=C1C#N)=S
InChI	InChI=1S/C12H9N7O2S/c13-5-9-10(20)16-12(21)19(18-9)8-3-1-7(2-4-8)6-15-17-11(14)22/h1-4,6H,(H3,14,17,22)(H,16,20,21)
InChIK	HARKBXBNBPTENZ-UHFFFAOYSA-N
TotalMolweight	315.316
Molweight	315.316
MonoisotopicMass	315.053843
CLogP	0.3246
CLogS	-3.664
H Acceptors	9
H Donors	3
TotalSurfaceArea	239.15
Relative PSA	0.55363
PolarSurfaceArea	168.06
Druglikeness	2.4103
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	imine/hydrazone of aldehyde; thio-amide/urea
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	2
Amides	1
StereoCon

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