(3R)-N'-(3,5-dinitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Formula:C16H12N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3R)-N'-(3,5-dinitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is not a drug-like molecule.

MolName	(3R)-N'-(3,5-dinitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
MolecularFormula	C16H12N4O8
Smiles	[O-][N+](c1cc(C(NNC([C@@H]2Oc(cccc3)c3OC2)=O)=O)cc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C16H12N4O8/c21-15(9-5-10(19(23)24)7-11(6-9)20(25)26)17-18-16(22)14-8-27-12-3-1-2-4-13(12)28-14/h1-7,14H,8H2,(H,17,21)(H,18,22)/t14-/m1/s1
InChIK	OFKCIHHRXFNQOL-CQSZACIVSA-N
TotalMolweight	388.291
Molweight	388.291
MonoisotopicMass	388.065516
CLogP	-0.6835
CLogS	-4.252
H Acceptors	12
H Donors	2
TotalSurfaceArea	271.54
Relative PSA	0.47816
PolarSurfaceArea	168.3
Druglikeness	-2.5085
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	5
AcidicOxygens	2
StereoCon	this enantiomer

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