(1Z)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidoyl cyanide
Formula:C15H10N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidoyl cyanide is a drug-like molecule.
| MolName | (1Z)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidoyl cyanide |
| MolecularFormula | C15H10N4O3 |
| Smiles | N#C/C(/C(c1ccccc1)=O)=N/Nc(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C15H10N4O3/c16-10-14(15(20)11-4-2-1-3-5-11)18-17-12-6-8-13(9-7-12)19(21)22/h1-9,17H |
| InChIK | RDUPWSXNSVTXDH-UHFFFAOYSA-N |
| TotalMolweight | 294.269 |
| Molweight | 294.269 |
| MonoisotopicMass | 294.075291 |
| CLogP | 2.5042 |
| CLogS | -4.039 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 230.58 |
| Relative PSA | 0.34691 |
| PolarSurfaceArea | 111.07 |
| Druglikeness | -7.1435 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (1Z)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidoyl cyanide | 2 - (1Z)-N-(4-nitroanilino)-2-oxo-2-phenylethanimidoyl cyanide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off