3-nitro-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzohydrazide

Formula:C13H17N4O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-nitro-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzohydrazide is a drug-like molecule.

MolName	3-nitro-N'-(3,4,5,6-tetrahydro-2H-azepin-1-ium-7-yl)benzohydrazide
MolecularFormula	C13H17N4O3
Smiles	[O-][N+](c1cc(C(NNC2=[NH+]CCCCC2)=O)ccc1)=O
InChI	InChI=1S/C13H16N4O3/c18-13(10-5-4-6-11(9-10)17(19)20)16-15-12-7-2-1-3-8-14-12/h4-6,9H,1-3,7-8H2,(H,14,15)(H,16,18)/p+1
InChIK	FSAYOTRYZUAPRL-UHFFFAOYSA-O
TotalMolweight	277.303
Molweight	277.303
MonoisotopicMass	277.130066
CLogP	-0.081
CLogS	-3.582
H Acceptors	7
H Donors	3
TotalSurfaceArea	204.36
Relative PSA	0.32482
PolarSurfaceArea	100.92
Druglikeness	-8.6242
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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