[(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate

Formula:C15H11N3O5BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate
MolecularFormula	C15H11N3O5BrCl
Smiles	N/C(/c(cc1)ccc1[N+]([O-])=O)=N/OC(COc(ccc(Br)c1)c1Cl)=O
InChI	InChI=1S/C15H11BrClN3O5/c16-10-3-6-13(12(17)7-10)24-8-14(21)25-19-15(18)9-1-4-11(5-2-9)20(22)23/h1-7H,8H2,(H2,18,19)
InChIK	BEEHTDQRGRFTSI-UHFFFAOYSA-N
TotalMolweight	428.625
Molweight	428.625
MonoisotopicMass	426.95706
CLogP	3.0566
CLogS	-5.346
H Acceptors	8
H Donors	1
TotalSurfaceArea	273.74
Relative PSA	0.32966
PolarSurfaceArea	119.73
Druglikeness	-9.3462
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate | 2 - [(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate

Request More Details | [(E)-[amino-(4-nitrophenyl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments