[(E)-(4-bromophenyl)methylideneamino] N-naphthalen-1-ylcarbamate
Formula:C18H13N2O2Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(4-bromophenyl)methylideneamino] N-naphthalen-1-ylcarbamate is not a drug-like molecule.
| MolName | [(E)-(4-bromophenyl)methylideneamino] N-naphthalen-1-ylcarbamate |
| MolecularFormula | C18H13N2O2Br |
| Smiles | O=C(Nc1cccc2ccccc12)O/N=C/c(cc1)ccc1Br |
| InChI | InChI=1S/C18H13BrN2O2/c19-15-10-8-13(9-11-15)12-20-23-18(22)21-17-7-3-5-14-4-1-2-6-16(14)17/h1-12H,(H,21,22) |
| InChIK | LMBZZXCXSIFBCJ-UHFFFAOYSA-N |
| TotalMolweight | 369.217 |
| Molweight | 369.217 |
| MonoisotopicMass | 368.016039 |
| CLogP | 5.8316 |
| CLogS | -6.727 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 250.22 |
| Relative PSA | 0.18388 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -8.045 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(4-bromophenyl)methylideneamino] N-naphthalen-1-ylcarbamate | 2 - [(E)-(4-bromophenyl)methylideneamino] N-naphthalen-1-ylcarbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off