N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chlorobenzamide
Formula:C15H11N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-N'-(1,3-benzoxazol-2-yl)carbamimidoyl]-3-chlorobenzamide |
| MolecularFormula | C15H11N4O2Cl |
| Smiles | N/C(/NC(c1cccc(Cl)c1)=O)=N/c1nc(cccc2)c2o1 |
| InChI | InChI=1S/C15H11ClN4O2/c16-10-5-3-4-9(8-10)13(21)19-14(17)20-15-18-11-6-1-2-7-12(11)22-15/h1-8H,(H3,17,18,19,20,21) |
| InChIK | IYGQNXHHNHZJHT-UHFFFAOYSA-N |
| TotalMolweight | 314.731 |
| Molweight | 314.731 |
| MonoisotopicMass | 314.057053 |
| CLogP | 2.9604 |
| CLogS | -5.236 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 232.19 |
| Relative PSA | 0.32887 |
| PolarSurfaceArea | 93.51 |
| Druglikeness | 1.2064 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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