3-hydroxy-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
Formula:C22H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide is a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C22H16N4O4 |
| Smiles | [O-][N+](c(cc1)ccc1-n1c(/C=N\NC(c2cc3ccccc3cc2O)=O)ccc1)=O |
| InChI | InChI=1S/C22H16N4O4/c27-21-13-16-5-2-1-4-15(16)12-20(21)22(28)24-23-14-19-6-3-11-25(19)17-7-9-18(10-8-17)26(29)30/h1-14,27H,(H,24,28) |
| InChIK | MURFKSANVMDPNI-UHFFFAOYSA-N |
| TotalMolweight | 400.393 |
| Molweight | 400.393 |
| MonoisotopicMass | 400.117156 |
| CLogP | 3.3676 |
| CLogS | -7.828 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 300.57 |
| Relative PSA | 0.28745 |
| PolarSurfaceArea | 112.44 |
| Druglikeness | 0.32094 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-hydroxy-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide | 2 - 3-hydroxy-N-[(Z)-[1-(4-nitrophenyl)pyrrol-2-yl]methylideneamino]naphthalene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off