1-(2-hydroxyethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]pyridin-1-ium-3-carboxamide

Formula:C15H15N4O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2-hydroxyethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]pyridin-1-ium-3-carboxamide is a drug-like molecule.

MolName	1-(2-hydroxyethyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]pyridin-1-ium-3-carboxamide
MolecularFormula	C15H15N4O4
Smiles	[O-][N+](c1ccc(/C=N\NC(c2c[n+](CCO)ccc2)=O)cc1)=O
InChI	InChI=1S/C15H14N4O4/c20-9-8-18-7-1-2-13(11-18)15(21)17-16-10-12-3-5-14(6-4-12)19(22)23/h1-7,10-11,20H,8-9H2/p+1
InChIK	STWWJRWDOLJUMB-UHFFFAOYSA-O
TotalMolweight	315.308
Molweight	315.308
MonoisotopicMass	315.109331
CLogP	-3.3152
CLogS	-2.547
H Acceptors	8
H Donors	2
TotalSurfaceArea	241.83
Relative PSA	0.34028
PolarSurfaceArea	111.39
Druglikeness	-0.8975
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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