1-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate
Formula:C20H15N3O5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate is a drug-like molecule.
| MolName | 1-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate |
| MolecularFormula | C20H15N3O5Cl |
| Smiles | [O-]c(c([N+]([O-])=O)c1)c(/C=N\NC(c(cccc2)c2Cl)=O)c2c1oc1c2CCCC1 |
| InChI | InChI=1S/C20H16ClN3O5/c21-14-7-3-1-5-11(14)20(26)23-22-10-13-18-12-6-2-4-8-16(12)29-17(18)9-15(19(13)25)24(27)28/h1,3,5,7,9-10,25H,2,4,6,8H2,(H,23,26)/p-1 |
| InChIK | NMTSKTJVXLTJHV-UHFFFAOYSA-M |
| TotalMolweight | 412.808 |
| Molweight | 412.808 |
| MonoisotopicMass | 412.070024 |
| CLogP | 2.6247 |
| CLogS | -6.896 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 299.44 |
| Relative PSA | 0.31666 |
| PolarSurfaceArea | 123.48 |
| Druglikeness | -5.6467 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate | 2 - 1-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate
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