4-amino-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide
Molecular Formula : C18H14N4O4 | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |4-amino-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide is a drug-like molecule.
MolName : 4-amino-N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]benzamide |
MolecularFormula : C18H14N4O4 |
Smiles : Nc(cc1)ccc1C(N/N=C\c1ccc(-c(cc2)ccc2[N+]([O-])=O)o1)=O |
InChI : InChI=1S/C18H14N4O4/c19-14-5-1-13(2-6-14)18(23)21-20-11-16-9-10-17(26-16)12-3-7-15(8-4-12)22(24)25/h1-11H,19H2,(H,21,23) |
InChIK : FHEMPOKYYMXJRS-UHFFFAOYSA-N |
TotalMolweight : 350.333 |
Molweight : 350.333 |
MonoisotopicMass : 350.101506 |
CLogP : 2.5416 |
CLogS : -5.717 |
H Acceptors : 8 |
H Donors : 2 |
TotalSurfaceArea : 268.63 |
Relative PSA : 0.35666 |
PolarSurfaceArea : 126.44 |
Druglikeness : 1.3529 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.69231 |
Fragments : 1 |
Non HAtoms : 26 |
NonCHAtoms : 8 |
Electronegative Atoms : 8 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 3 |
Aromatic Atoms : 17 |
Sp3Atoms : 1 |
Symmetricatoms : 4 |
Amines : 1 |
Aromatic Amines : 1 |
AcidicOxygens : 1 |
StereoCon : |