(5Z)-5-[(4-nitrophenyl)hydrazinylidene]pentane-1,2,3,4-tetrol
Formula:C11H15N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(4-nitrophenyl)hydrazinylidene]pentane-1,2,3,4-tetrol is a drug-like molecule.
| MolName | (5Z)-5-[(4-nitrophenyl)hydrazinylidene]pentane-1,2,3,4-tetrol |
| MolecularFormula | C11H15N3O6 |
| Smiles | [O-][N+](c(cc1)ccc1N/N=C\C(C(C(CO)O)O)O)=O |
| InChI | InChI=1S/C11H15N3O6/c15-6-10(17)11(18)9(16)5-12-13-7-1-3-8(4-2-7)14(19)20/h1-5,9-11,13,15-18H,6H2 |
| InChIK | VQKPBVUHXKSLDK-UHFFFAOYSA-N |
| TotalMolweight | 285.255 |
| Molweight | 285.255 |
| MonoisotopicMass | 285.096087 |
| CLogP | -0.4643 |
| CLogS | -1.467 |
| H Acceptors | 9 |
| H Donors | 5 |
| TotalSurfaceArea | 209.81 |
| Relative PSA | 0.50422 |
| PolarSurfaceArea | 151.13 |
| Druglikeness | -2.8787 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
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