[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]thiourea

Formula:C13H16N4S Mutagenic:low Tumorigenic:none Reproductive Effective:none [(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]thiourea is a drug-like molecule.

MolName	[(Z)-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-4-ylideneamino]thiourea
MolecularFormula	C13H16N4S
Smiles	NC(N/N=C1\c(cccc2CCC3)c2N3CC1)=S
InChI	InChI=1S/C13H16N4S/c14-13(18)16-15-11-6-8-17-7-2-4-9-3-1-5-10(11)12(9)17/h1,3,5H,2,4,6-8H2,(H3,14,16,18)
InChIK	SVNVKRXDKDLTEB-UHFFFAOYSA-N
TotalMolweight	260.364
Molweight	260.364
MonoisotopicMass	260.109566
CLogP	2.0117
CLogS	-4.029
H Acceptors	4
H Donors	2
TotalSurfaceArea	201.02
Relative PSA	0.34718
PolarSurfaceArea	85.74
Druglikeness	3.0805
Mutagenic	low
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.55556
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Amines	1
Aromatic Amines	1
StereoCon

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