N,N-bis(2-hydroxyethyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]benzamide
Formula:C18H20N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N,N-bis(2-hydroxyethyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]benzamide is a drug-like molecule.
| MolName | N,N-bis(2-hydroxyethyl)-4-[2-(4-nitrobenzoyl)hydrazinyl]benzamide |
| MolecularFormula | C18H20N4O6 |
| Smiles | [O-][N+](c(cc1)ccc1C(NNc(cc1)ccc1C(N(CCO)CCO)=O)=O)=O |
| InChI | InChI=1S/C18H20N4O6/c23-11-9-21(10-12-24)18(26)14-1-5-15(6-2-14)19-20-17(25)13-3-7-16(8-4-13)22(27)28/h1-8,19,23-24H,9-12H2,(H,20,25) |
| InChIK | DQYXNRCGZSKVMB-UHFFFAOYSA-N |
| TotalMolweight | 388.379 |
| Molweight | 388.379 |
| MonoisotopicMass | 388.138286 |
| CLogP | 0.9998 |
| CLogS | -2.427 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 293.15 |
| Relative PSA | 0.3724 |
| PolarSurfaceArea | 147.72 |
| Druglikeness | -0.67752 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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