2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate
Formula:C14H10N4O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate |
| MolecularFormula | C14H10N4O4Cl |
| Smiles | Nc(cc1)ccc1C(N/N=C\c1cc(Cl)cc([N+]([O-])=O)c1[O-])=O |
| InChI | InChI=1S/C14H11ClN4O4/c15-10-5-9(13(20)12(6-10)19(22)23)7-17-18-14(21)8-1-3-11(16)4-2-8/h1-7,20H,16H2,(H,18,21)/p-1 |
| InChIK | AYMHKIIEPLANEX-UHFFFAOYSA-M |
| TotalMolweight | 333.71 |
| Molweight | 333.71 |
| MonoisotopicMass | 333.039058 |
| CLogP | 0.285 |
| CLogS | -4.697 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 242.13 |
| Relative PSA | 0.3964 |
| PolarSurfaceArea | 136.36 |
| Druglikeness | -0.79798 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate | 2 - 2-[(Z)-[(4-aminobenzoyl)hydrazinylidene]methyl]-4-chloro-6-nitrophenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off