[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate
Formula:C18H15N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate is a drug-like molecule.
| MolName | [4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate |
| MolecularFormula | C18H15N3O5 |
| Smiles | [O-][N+](c1cc(C(Oc2ccc(/C=N\NC(C3CC3)=O)cc2)=O)ccc1)=O |
| InChI | InChI=1S/C18H15N3O5/c22-17(13-6-7-13)20-19-11-12-4-8-16(9-5-12)26-18(23)14-2-1-3-15(10-14)21(24)25/h1-5,8-11,13H,6-7H2,(H,20,22) |
| InChIK | RYUPXUYDVWJMDV-UHFFFAOYSA-N |
| TotalMolweight | 353.333 |
| Molweight | 353.333 |
| MonoisotopicMass | 353.101172 |
| CLogP | 2.5848 |
| CLogS | -4.997 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 264.93 |
| Relative PSA | 0.33771 |
| PolarSurfaceArea | 113.58 |
| Druglikeness | 0.32166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate | 2 - [4-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]phenyl] 3-nitrobenzoate
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