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

Formula:C15H12N2O3BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(phenyl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[amino(phenyl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate
MolecularFormula	C15H12N2O3BrCl
Smiles	N/C(/c1ccccc1)=N/OC(COc(ccc(Br)c1)c1Cl)=O
InChI	InChI=1S/C15H12BrClN2O3/c16-11-6-7-13(12(17)8-11)21-9-14(20)22-19-15(18)10-4-2-1-3-5-10/h1-8H,9H2,(H2,18,19)
InChIK	BOTPFUYKXLZLRO-UHFFFAOYSA-N
TotalMolweight	383.628
Molweight	383.628
MonoisotopicMass	381.971981
CLogP	3.9782
CLogS	-4.886
H Acceptors	5
H Donors	1
TotalSurfaceArea	250.07
Relative PSA	0.23921
PolarSurfaceArea	73.91
Druglikeness	-4.3375
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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