(3S)-N'-(2-chloro-4-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Formula:C16H12N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (3S)-N'-(2-chloro-4-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide is a drug-like molecule.

MolName	(3S)-N'-(2-chloro-4-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
MolecularFormula	C16H12N3O6Cl
Smiles	[O-][N+](c(cc1)cc(Cl)c1C(NNC([C@H]1Oc(cccc2)c2OC1)=O)=O)=O
InChI	InChI=1S/C16H12ClN3O6/c17-11-7-9(20(23)24)5-6-10(11)15(21)18-19-16(22)14-8-25-12-3-1-2-4-13(12)26-14/h1-7,14H,8H2,(H,18,21)(H,19,22)/t14-/m0/s1
InChIK	PHHUZRIGTORMPY-AWEZNQCLSA-N
TotalMolweight	377.739
Molweight	377.739
MonoisotopicMass	377.041464
CLogP	0.8441
CLogS	-4.528
H Acceptors	9
H Donors	2
TotalSurfaceArea	263.29
Relative PSA	0.37761
PolarSurfaceArea	122.48
Druglikeness	-2.438
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	1
StereoCon	this enantiomer

Click to Load Molecule:

1 - (3S)-N'-(2-chloro-4-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide | 2 - (3S)-N'-(2-chloro-4-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Request More Details | (3S)-N'-(2-chloro-4-nitrobenzoyl)-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments