[(E)-(4-bromophenyl)methylideneamino] N-(4-chlorophenyl)carbamate
Formula:C14H10N2O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(4-bromophenyl)methylideneamino] N-(4-chlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-(4-bromophenyl)methylideneamino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C14H10N2O2BrCl |
| Smiles | O=C(Nc(cc1)ccc1Cl)O/N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C14H10BrClN2O2/c15-11-3-1-10(2-4-11)9-17-20-14(19)18-13-7-5-12(16)6-8-13/h1-9H,(H,18,19) |
| InChIK | IOCAMIITEFOELM-UHFFFAOYSA-N |
| TotalMolweight | 353.602 |
| Molweight | 353.602 |
| MonoisotopicMass | 351.961416 |
| CLogP | 5.2432 |
| CLogS | -5.857 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.04 |
| Relative PSA | 0.19914 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -7.968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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