N-(4-nitroanilino)-N'-(4-nitrophenyl)benzenecarboximidamide
Formula:C19H15N5O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-nitroanilino)-N'-(4-nitrophenyl)benzenecarboximidamide is a drug-like molecule.
| MolName | N-(4-nitroanilino)-N'-(4-nitrophenyl)benzenecarboximidamide |
| MolecularFormula | C19H15N5O4 |
| Smiles | [O-][N+](c(cc1)ccc1NN/C(/c1ccccc1)=N/c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C19H15N5O4/c25-23(26)17-10-6-15(7-11-17)20-19(14-4-2-1-3-5-14)22-21-16-8-12-18(13-9-16)24(27)28/h1-13,21H,(H,20,22) |
| InChIK | CVOQFHGXCLUNIB-UHFFFAOYSA-N |
| TotalMolweight | 377.359 |
| Molweight | 377.359 |
| MonoisotopicMass | 377.112405 |
| CLogP | 3.0151 |
| CLogS | -4.876 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 286.01 |
| Relative PSA | 0.3331 |
| PolarSurfaceArea | 128.06 |
| Druglikeness | -4.616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(4-nitroanilino)-N'-(4-nitrophenyl)benzenecarboximidamide | 2 - N-(4-nitroanilino)-N'-(4-nitrophenyl)benzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off