N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[5-(2,3-dichlorophenyl)tetrazol-2-yl]propanamide
Formula:C17H13N6OCl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[5-(2,3-dichlorophenyl)tetrazol-2-yl]propanamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[5-(2,3-dichlorophenyl)tetrazol-2-yl]propanamide |
| MolecularFormula | C17H13N6OCl3 |
| Smiles | O=C(CCn1nnc(-c2cccc(Cl)c2Cl)n1)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C17H13Cl3N6O/c18-12-6-4-11(5-7-12)10-21-22-15(27)8-9-26-24-17(23-25-26)13-2-1-3-14(19)16(13)20/h1-7,10H,8-9H2,(H,22,27) |
| InChIK | BWWRYHWFAMRBPH-UHFFFAOYSA-N |
| TotalMolweight | 423.69 |
| Molweight | 423.69 |
| MonoisotopicMass | 422.02164 |
| CLogP | 4.7853 |
| CLogS | -6.267 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 306.01 |
| Relative PSA | 0.24767 |
| PolarSurfaceArea | 85.06 |
| Druglikeness | 1.1234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[5-(2,3-dichlorophenyl)tetrazol-2-yl]propanamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-3-[5-(2,3-dichlorophenyl)tetrazol-2-yl]propanamide
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