N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
Formula:C18H16N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]butanediamide is a drug-like molecule.
| MolName | N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]butanediamide |
| MolecularFormula | C18H16N4O2Cl2 |
| Smiles | O=C(CCC(N/N=C\c(cc1)ccc1Cl)=O)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H16Cl2N4O2/c19-15-5-1-13(2-6-15)11-21-23-17(25)9-10-18(26)24-22-12-14-3-7-16(20)8-4-14/h1-8,11-12H,9-10H2,(H,23,25)(H,24,26) |
| InChIK | SYYLKJFYVHDYTD-UHFFFAOYSA-N |
| TotalMolweight | 391.257 |
| Molweight | 391.257 |
| MonoisotopicMass | 390.06503 |
| CLogP | 4.6592 |
| CLogS | -6.13 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 299.32 |
| Relative PSA | 0.24061 |
| PolarSurfaceArea | 82.92 |
| Druglikeness | 3.0488 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 15 |
| StereoCon |
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1 - N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]butanediamide | 2 - N,N'-bis[(Z)-(4-chlorophenyl)methylideneamino]butanediamide
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