[(E)-(4-fluorophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate
Formula:C14H9N2O2Cl2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(4-fluorophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-(4-fluorophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate |
| MolecularFormula | C14H9N2O2Cl2F |
| Smiles | O=C(Nc(cc1)cc(Cl)c1Cl)O/N=C/c(cc1)ccc1F |
| InChI | InChI=1S/C14H9Cl2FN2O2/c15-12-6-5-11(7-13(12)16)19-14(20)21-18-8-9-1-3-10(17)4-2-9/h1-8H,(H,19,20) |
| InChIK | WLBQRJDLXXBOIK-UHFFFAOYSA-N |
| TotalMolweight | 327.141 |
| Molweight | 327.141 |
| MonoisotopicMass | 326.00251 |
| CLogP | 5.2248 |
| CLogS | -6.073 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 234.18 |
| Relative PSA | 0.19647 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -7.518 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| 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 |
| StereoCon |
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