N-[(E)-[amino-(6-chloropyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide

Formula:C10H13N6OClS Mutagenic:high Tumorigenic:none Reproductive Effective:high N-[(E)-[amino-(6-chloropyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide is a drug-like molecule.

MolName	N-[(E)-[amino-(6-chloropyrazin-2-yl)methylidene]amino]morpholine-4-carbothioamide
MolecularFormula	C10H13N6OClS
Smiles	N/C(/c1cncc(Cl)n1)=N/NC(N1CCOCC1)=S
InChI	InChI=1S/C10H13ClN6OS/c11-8-6-13-5-7(14-8)9(12)15-16-10(19)17-1-3-18-4-2-17/h5-6H,1-4H2,(H2,12,15)(H,16,19)
InChIK	ZEJPZVCDFYFHLO-UHFFFAOYSA-N
TotalMolweight	300.773
Molweight	300.773
MonoisotopicMass	300.056006
CLogP	0.0286
CLogS	-1.217
H Acceptors	7
H Donors	2
TotalSurfaceArea	223.7
Relative PSA	0.45476
PolarSurfaceArea	120.75
Druglikeness	2.2956
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	thio-amide/urea
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Aromatic Nitrogens	2
StereoCon

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