[(Z)-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]methylideneamino]urea
Formula:C16H13N6OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]methylideneamino]urea is a drug-like molecule.
| MolName | [(Z)-[4-[5-(4-chlorophenyl)triazol-1-yl]phenyl]methylideneamino]urea |
| MolecularFormula | C16H13N6OCl |
| Smiles | NC(N/N=C\c(cc1)ccc1-n1nncc1-c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C16H13ClN6O/c17-13-5-3-12(4-6-13)15-10-20-22-23(15)14-7-1-11(2-8-14)9-19-21-16(18)24/h1-10H,(H3,18,21,24) |
| InChIK | OOWDJEHKIUSOLR-UHFFFAOYSA-N |
| TotalMolweight | 340.773 |
| Molweight | 340.773 |
| MonoisotopicMass | 340.083936 |
| CLogP | 2.3059 |
| CLogS | -5.052 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 257.41 |
| Relative PSA | 0.31114 |
| PolarSurfaceArea | 98.19 |
| Druglikeness | 0.88302 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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