2-[(Z)-N-(carbamoylamino)-C-(4-chlorophenyl)carbonimidoyl]benzoate
Formula:C15H11N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-N-(carbamoylamino)-C-(4-chlorophenyl)carbonimidoyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-N-(carbamoylamino)-C-(4-chlorophenyl)carbonimidoyl]benzoate |
| MolecularFormula | C15H11N3O3Cl |
| Smiles | NC(N/N=C(/c(cc1)ccc1Cl)\c(cccc1)c1C([O-])=O)=O |
| InChI | InChI=1S/C15H12ClN3O3/c16-10-7-5-9(6-8-10)13(18-19-15(17)22)11-3-1-2-4-12(11)14(20)21/h1-8H,(H,20,21)(H3,17,19,22)/p-1 |
| InChIK | LGANKNCUYKDPPQ-UHFFFAOYSA-M |
| TotalMolweight | 316.723 |
| Molweight | 316.723 |
| MonoisotopicMass | 316.048894 |
| CLogP | 0.3471 |
| CLogS | -5.339 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 234.42 |
| Relative PSA | 0.3353 |
| PolarSurfaceArea | 107.61 |
| Druglikeness | 3.3258 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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