[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 5-bromofuran-2-carboxylate

Formula:C13H10N3O5Br Mutagenic:high Tumorigenic:none Reproductive Effective:none [(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 5-bromofuran-2-carboxylate is a drug-like molecule.

MolName	[(E)-[1-amino-2-(4-nitrophenyl)ethylidene]amino] 5-bromofuran-2-carboxylate
MolecularFormula	C13H10N3O5Br
Smiles	N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N/OC(c(o1)ccc1Br)=O
InChI	InChI=1S/C13H10BrN3O5/c14-11-6-5-10(21-11)13(18)22-16-12(15)7-8-1-3-9(4-2-8)17(19)20/h1-6H,7H2,(H2,15,16)
InChIK	SAXZKQRHHUFFFW-UHFFFAOYSA-N
TotalMolweight	368.142
Molweight	368.142
MonoisotopicMass	366.980383
CLogP	2.1599
CLogS	-4.24
H Acceptors	8
H Donors	1
TotalSurfaceArea	238.01
Relative PSA	0.39641
PolarSurfaceArea	123.64
Druglikeness	-9.1367
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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