[(E)-(2-chlorophenyl)methylideneamino] N-naphthalen-1-ylcarbamate
Formula:C18H13N2O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-(2-chlorophenyl)methylideneamino] N-naphthalen-1-ylcarbamate is not a drug-like molecule.
| MolName | [(E)-(2-chlorophenyl)methylideneamino] N-naphthalen-1-ylcarbamate |
| MolecularFormula | C18H13N2O2Cl |
| Smiles | O=C(Nc1cccc2ccccc12)O/N=C/c(cccc1)c1Cl |
| InChI | InChI=1S/C18H13ClN2O2/c19-16-10-4-2-7-14(16)12-20-23-18(22)21-17-11-5-8-13-6-1-3-9-15(13)17/h1-12H,(H,21,22) |
| InChIK | RDYSSHHWKMLHCB-UHFFFAOYSA-N |
| TotalMolweight | 324.766 |
| Molweight | 324.766 |
| MonoisotopicMass | 324.066555 |
| CLogP | 5.7124 |
| CLogS | -6.629 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.01 |
| Relative PSA | 0.18627 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -6.178 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| 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 |
| Amides | 1 |
| StereoCon |
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