4-chloro-2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-6-nitrophenolate
Formula:C11H9N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-6-nitrophenolate is a drug-like molecule.
| MolName | 4-chloro-2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-6-nitrophenolate |
| MolecularFormula | C11H9N3O4Cl |
| Smiles | [O-]c(c(/C=N\NC(C1CC1)=O)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C11H10ClN3O4/c12-8-3-7(10(16)9(4-8)15(18)19)5-13-14-11(17)6-1-2-6/h3-6,16H,1-2H2,(H,14,17)/p-1 |
| InChIK | FGGJJOOXWASQDL-UHFFFAOYSA-M |
| TotalMolweight | 282.662 |
| Molweight | 282.662 |
| MonoisotopicMass | 282.028159 |
| CLogP | -0.1634 |
| CLogS | -3.967 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 200.37 |
| Relative PSA | 0.4028 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | 0.59325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-chloro-2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-6-nitrophenolate | 2 - 4-chloro-2-[(Z)-(cyclopropanecarbonylhydrazinylidene)methyl]-6-nitrophenolate
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