2-(2-hydroxyphenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]furan-3-carboxamide

Formula:C18H13N3O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-hydroxyphenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]furan-3-carboxamide is a drug-like molecule.

MolName2-(2-hydroxyphenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]furan-3-carboxamide
MolecularFormulaC18H13N3O5
Smiles[O-][N+](c1ccc(/C=N\NC(c2c(-c(cccc3)c3O)occ2)=O)cc1)=O
InChIInChI=1S/C18H13N3O5/c22-16-4-2-1-3-14(16)17-15(9-10-26-17)18(23)20-19-11-12-5-7-13(8-6-12)21(24)25/h1-11,22H,(H,20,23)
InChIKZDNNQQKPIMYLQR-UHFFFAOYSA-N
TotalMolweight351.317
Molweight351.317
MonoisotopicMass351.085522
CLogP2.8192
CLogS-5.321
H Acceptors8
H Donors2
TotalSurfaceArea266.46
Relative PSA0.35142
PolarSurfaceArea120.65
Druglikeness-0.27401
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond5
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms17
Sp3Atoms2
Symmetricatoms2
AcidicOxygens1
StereoCon

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