[4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
Formula:C20H14N4O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate |
| MolecularFormula | C20H14N4O6 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\c(cc1)ccc1OC(c1cccc([N+]([O-])=O)c1)=O)=O |
| InChI | InChI=1S/C20H14N4O6/c25-20(15-2-1-3-18(12-15)24(28)29)30-19-10-4-14(5-11-19)13-21-22-16-6-8-17(9-7-16)23(26)27/h1-13,22H |
| InChIK | RHUGTLOWCCMJCV-UHFFFAOYSA-N |
| TotalMolweight | 406.353 |
| Molweight | 406.353 |
| MonoisotopicMass | 406.091336 |
| CLogP | 4.4282 |
| CLogS | -5.539 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 304.09 |
| Relative PSA | 0.35138 |
| PolarSurfaceArea | 142.33 |
| Druglikeness | -3.3782 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - [4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate | 2 - [4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
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