N'-hydroxy-2-(1-oxoisoquinolin-2-yl)ethanimidamide

Formula:C11H11N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N'-hydroxy-2-(1-oxoisoquinolin-2-yl)ethanimidamide is a drug-like molecule.

MolName	N'-hydroxy-2-(1-oxoisoquinolin-2-yl)ethanimidamide
MolecularFormula	C11H11N3O2
Smiles	N/C(/CN(C=Cc1c2cccc1)C2=O)=N/O
InChI	InChI=1S/C11H11N3O2/c12-10(13-16)7-14-6-5-8-3-1-2-4-9(8)11(14)15/h1-6,16H,7H2,(H2,12,13)
InChIK	GIGRWRZBFDLCES-UHFFFAOYSA-N
TotalMolweight	217.227
Molweight	217.227
MonoisotopicMass	217.085127
CLogP	0.7464
CLogS	-2.421
H Acceptors	5
H Donors	2
TotalSurfaceArea	165.91
Relative PSA	0.34037
PolarSurfaceArea	78.92
Druglikeness	3.2325
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Amides	1
StereoCon

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