[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2,6-difluorobenzoate

Formula:C14H9N3O4F2 Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[amino-(3-nitrophenyl)methylidene]amino] 2,6-difluorobenzoate is a drug-like molecule.

MolName	[(E)-[amino-(3-nitrophenyl)methylidene]amino] 2,6-difluorobenzoate
MolecularFormula	C14H9N3O4F2
Smiles	N/C(/c1cc([N+]([O-])=O)ccc1)=N/OC(c(c(F)ccc1)c1F)=O
InChI	InChI=1S/C14H9F2N3O4/c15-10-5-2-6-11(16)12(10)14(20)23-18-13(17)8-3-1-4-9(7-8)19(21)22/h1-7H,(H2,17,18)
InChIK	BLGRMOHPIREIMQ-UHFFFAOYSA-N
TotalMolweight	321.238
Molweight	321.238
MonoisotopicMass	321.056113
CLogP	2.3521
CLogS	-4.624
H Acceptors	7
H Donors	1
TotalSurfaceArea	228.63
Relative PSA	0.35096
PolarSurfaceArea	110.5
Druglikeness	-9.1489
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
AcidicOxygens	1
StereoCon

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