N-[(E)-[1-amino-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethylidene]amino]pyridine-4-carboxamide

Formula:C13H13N5O2S Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(E)-[1-amino-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethylidene]amino]pyridine-4-carboxamide is a drug-like molecule.

MolName	N-[(E)-[1-amino-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethylidene]amino]pyridine-4-carboxamide
MolecularFormula	C13H13N5O2S
Smiles	N/C(/CSc(cccc1)[n+]1[O-])=N/NC(c1ccncc1)=O
InChI	InChI=1S/C13H13N5O2S/c14-11(9-21-12-3-1-2-8-18(12)20)16-17-13(19)10-4-6-15-7-5-10/h1-8H,9H2,(H2,14,16)(H,17,19)
InChIK	QZRMMTZXBCOOQL-UHFFFAOYSA-N
TotalMolweight	303.345
Molweight	303.345
MonoisotopicMass	303.078995
CLogP	0.1885
CLogS	-4.585
H Acceptors	7
H Donors	2
TotalSurfaceArea	225.78
Relative PSA	0.41633
PolarSurfaceArea	131.13
Druglikeness	2.0771
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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