[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate

Formula:C14H11N3O3BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:low [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-bromo-2-chlorophenoxy)acetate
MolecularFormula	C14H11N3O3BrCl
Smiles	N/C(/c1cnccc1)=N/OC(COc(ccc(Br)c1)c1Cl)=O
InChI	InChI=1S/C14H11BrClN3O3/c15-10-3-4-12(11(16)6-10)21-8-13(20)22-19-14(17)9-2-1-5-18-7-9/h1-7H,8H2,(H2,17,19)
InChIK	GSNIOOJEJXLUAP-UHFFFAOYSA-N
TotalMolweight	384.616
Molweight	384.616
MonoisotopicMass	382.96723
CLogP	2.9773
CLogS	-4.091
H Acceptors	6
H Donors	1
TotalSurfaceArea	248.83
Relative PSA	0.28449
PolarSurfaceArea	86.8
Druglikeness	-4.3375
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Aromatic Nitrogens	1
StereoCon

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