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

Formula:C14H12N3O3Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-bromophenoxy)acetate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-3-yl)methylidene]amino] 2-(4-bromophenoxy)acetate
MolecularFormula	C14H12N3O3Br
Smiles	N/C(/c1cnccc1)=N/OC(COc(cc1)ccc1Br)=O
InChI	InChI=1S/C14H12BrN3O3/c15-11-3-5-12(6-4-11)20-9-13(19)21-18-14(16)10-2-1-7-17-8-10/h1-8H,9H2,(H2,16,18)
InChIK	NUHXVQHHYDHQDW-UHFFFAOYSA-N
TotalMolweight	350.171
Molweight	350.171
MonoisotopicMass	349.006203
CLogP	2.3713
CLogS	-3.355
H Acceptors	6
H Donors	1
TotalSurfaceArea	233.41
Relative PSA	0.30329
PolarSurfaceArea	86.8
Druglikeness	-4.4348
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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