[(E)-(2-chloro-1-phenylethylidene)amino]urea
Formula:C9H10N3OCl
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
[(E)-(2-chloro-1-phenylethylidene)amino]urea is a drug-like molecule.
| MolName | [(E)-(2-chloro-1-phenylethylidene)amino]urea |
| MolecularFormula | C9H10N3OCl |
| Smiles | NC(N/N=C(/CCl)\c1ccccc1)=O |
| InChI | InChI=1S/C9H10ClN3O/c10-6-8(12-13-9(11)14)7-4-2-1-3-5-7/h1-5H,6H2,(H3,11,13,14) |
| InChIK | BHQOAOOLEQMTAR-UHFFFAOYSA-N |
| TotalMolweight | 211.651 |
| Molweight | 211.651 |
| MonoisotopicMass | 211.051239 |
| CLogP | 1.3025 |
| CLogS | -3.575 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 163.14 |
| Relative PSA | 0.31433 |
| PolarSurfaceArea | 67.48 |
| Druglikeness | 3.0098 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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