N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyrazine-2-carboxamide
Molecular Formula : C16H11N5O4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
MolName : N-[(E)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyrazine-2-carboxamide |
MolecularFormula : C16H11N5O4 |
Smiles : [O-][N+](c(cc1)ccc1-c1ccc(/C=N/NC(c2nccnc2)=O)o1)=O |
InChI : InChI=1S/C16H11N5O4/c22-16(14-10-17-7-8-18-14)20-19-9-13-5-6-15(25-13)11-1-3-12(4-2-11)21(23)24/h1-10H,(H,20,22) |
InChIK : XMGHKYCENAYIQB-UHFFFAOYSA-N |
TotalMolweight : 337.294 |
Molweight : 337.294 |
MonoisotopicMass : 337.081105 |
CLogP : 1.2711 |
CLogS : -4.075 |
H Acceptors : 9 |
H Donors : 1 |
TotalSurfaceArea : 257.63 |
Relative PSA : 0.39778 |
PolarSurfaceArea : 126.2 |
Druglikeness : 1.38 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.68 |
Fragments : 1 |
Non HAtoms : 25 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 1 |
Symmetricatoms : 2 |
Aromatic Nitrogens : 2 |
AcidicOxygens : 1 |
StereoCon : |