[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-phenylsulfanylacetate

Formula:C16H15N3O4S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-phenylsulfanylacetate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-phenylsulfanylacetate
MolecularFormula	C16H15N3O4S
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(CSc1ccccc1)=O
InChI	InChI=1S/C16H15N3O4S/c17-15(10-12-6-8-13(9-7-12)19(21)22)18-23-16(20)11-24-14-4-2-1-3-5-14/h1-9H,10-11H2,(H2,17,18)
InChIK	GPTBCLBBTCTQKG-UHFFFAOYSA-N
TotalMolweight	345.378
Molweight	345.378
MonoisotopicMass	345.078327
CLogP	2.3614
CLogS	-4.503
H Acceptors	7
H Donors	1
TotalSurfaceArea	260.94
Relative PSA	0.37453
PolarSurfaceArea	135.8
Druglikeness	-7.0949
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	4
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-phenylsulfanylacetate | 2 - [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-phenylsulfanylacetate

Request More Details | [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 2-phenylsulfanylacetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments