[(Z)-[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]urea
Formula:C14H12N4OClF
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(Z)-[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]urea is a drug-like molecule.
| MolName | [(Z)-[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]urea |
| MolecularFormula | C14H12N4OClF |
| Smiles | NC(N/N=C(\c(cccc1)c1F)/c(cc(cc1)Cl)c1N)=O |
| InChI | InChI=1S/C14H12ClFN4O/c15-8-5-6-12(17)10(7-8)13(19-20-14(18)21)9-3-1-2-4-11(9)16/h1-7H,17H2,(H3,18,20,21) |
| InChIK | ZWHXZKXCMTXGAY-UHFFFAOYSA-N |
| TotalMolweight | 306.727 |
| Molweight | 306.727 |
| MonoisotopicMass | 306.068366 |
| CLogP | 2.3615 |
| CLogS | -5.716 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 224.01 |
| Relative PSA | 0.29708 |
| PolarSurfaceArea | 93.5 |
| Druglikeness | 1.8758 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - [(Z)-[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]urea | 2 - [(Z)-[(2-amino-5-chlorophenyl)-(2-fluorophenyl)methylidene]amino]urea
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