N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]pyridine-4-carboxamide

Formula:C12H11N5O2 Mutagenic:none Tumorigenic:high Reproductive Effective:high N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]pyridine-4-carboxamide is a drug-like molecule.

MolName	N-[(E)-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino]pyridine-4-carboxamide
MolecularFormula	C12H11N5O2
Smiles	O=C(c1ccncc1)N/N=C1/c2nonc2CCC1
InChI	InChI=1S/C12H11N5O2/c18-12(8-4-6-13-7-5-8)15-14-9-2-1-3-10-11(9)17-19-16-10/h4-7H,1-3H2,(H,15,18)
InChIK	GZFQTDSGEBXOJH-UHFFFAOYSA-N
TotalMolweight	257.252
Molweight	257.252
MonoisotopicMass	257.091275
CLogP	1.4927
CLogS	-2.166
H Acceptors	7
H Donors	1
TotalSurfaceArea	198.95
Relative PSA	0.41734
PolarSurfaceArea	93.27
Druglikeness	1.4885
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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