[(E)-[amino(pyridin-2-yl)methylidene]amino] 5-bromofuran-2-carboxylate

Formula:C11H8N3O3Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[amino(pyridin-2-yl)methylidene]amino] 5-bromofuran-2-carboxylate is a drug-like molecule.

MolName	[(E)-[amino(pyridin-2-yl)methylidene]amino] 5-bromofuran-2-carboxylate
MolecularFormula	C11H8N3O3Br
Smiles	N/C(/c1ncccc1)=N/OC(c(o1)ccc1Br)=O
InChI	InChI=1S/C11H8BrN3O3/c12-9-5-4-8(17-9)11(16)18-15-10(13)7-3-1-2-6-14-7/h1-6H,(H2,13,15)
InChIK	HGTKRUGEOLERKS-UHFFFAOYSA-N
TotalMolweight	310.107
Molweight	310.107
MonoisotopicMass	308.974903
CLogP	2.1365
CLogS	-3.044
H Acceptors	6
H Donors	1
TotalSurfaceArea	199.34
Relative PSA	0.37574
PolarSurfaceArea	90.71
Druglikeness	-4.0856
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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