[(E)-(4-bromophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate
Formula:C14H9N2O2BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(4-bromophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate is not a drug-like molecule.
| MolName | [(E)-(4-bromophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate |
| MolecularFormula | C14H9N2O2BrCl2 |
| Smiles | O=C(Nc(cc1)cc(Cl)c1Cl)O/N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C14H9BrCl2N2O2/c15-10-3-1-9(2-4-10)8-18-21-14(20)19-11-5-6-12(16)13(17)7-11/h1-8H,(H,19,20) |
| InChIK | YLYITGWRLIOZEY-UHFFFAOYSA-N |
| TotalMolweight | 388.047 |
| Molweight | 388.047 |
| MonoisotopicMass | 385.922443 |
| CLogP | 5.8492 |
| CLogS | -6.593 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.46 |
| Relative PSA | 0.18668 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -7.968 |
| 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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