4-chloro-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]benzamide
Formula:C15H14N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl]benzamide |
| MolecularFormula | C15H14N3O2Cl |
| Smiles | N/C(/c1ccc(CNC(c(cc2)ccc2Cl)=O)cc1)=N/O |
| InChI | InChI=1S/C15H14ClN3O2/c16-13-7-5-12(6-8-13)15(20)18-9-10-1-3-11(4-2-10)14(17)19-21/h1-8,21H,9H2,(H2,17,19)(H,18,20) |
| InChIK | ASEVLDSPXHBHND-UHFFFAOYSA-N |
| TotalMolweight | 303.748 |
| Molweight | 303.748 |
| MonoisotopicMass | 303.077454 |
| CLogP | 2.8312 |
| CLogS | -4.144 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 229.25 |
| Relative PSA | 0.28083 |
| PolarSurfaceArea | 87.71 |
| Druglikeness | 1.278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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