2-[(2-bromophenyl)methylsulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

Formula:C17H16N3O3BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2-bromophenyl)methylsulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide is a drug-like molecule.

MolName	2-[(2-bromophenyl)methylsulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
MolecularFormula	C17H16N3O3BrS
Smiles	C=C(c1cc([N+]([O-])=O)ccc1)NNC(CSCc(cccc1)c1Br)=O
InChI	InChI=1S/C17H16BrN3O3S/c1-12(13-6-4-7-15(9-13)21(23)24)19-20-17(22)11-25-10-14-5-2-3-8-16(14)18/h2-9,19H,1,10-11H2,(H,20,22)
InChIK	VLQFBDRWKYPCMU-UHFFFAOYSA-N
TotalMolweight	422.302
Molweight	422.302
MonoisotopicMass	421.009573
CLogP	2.1235
CLogS	-5.715
H Acceptors	6
H Donors	2
TotalSurfaceArea	283.75
Relative PSA	0.29558
PolarSurfaceArea	112.25
Druglikeness	-7.3515
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 2-[(2-bromophenyl)methylsulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide | 2 - 2-[(2-bromophenyl)methylsulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

Request More Details | 2-[(2-bromophenyl)methylsulfanyl]-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments