[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-(4-chlorophenyl)carbamate
Formula:C19H16N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C19H16N3O2Cl |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(Nc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C19H16ClN3O2/c20-15-8-10-16(11-9-15)22-19(24)25-23-18(21)12-14-6-3-5-13-4-1-2-7-17(13)14/h1-11H,12H2,(H2,21,23)(H,22,24) |
| InChIK | CTLVDWUPHLNSCJ-UHFFFAOYSA-N |
| TotalMolweight | 353.808 |
| Molweight | 353.808 |
| MonoisotopicMass | 353.093104 |
| CLogP | 4.8645 |
| CLogS | -6.359 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 267.5 |
| Relative PSA | 0.22908 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -5.7455 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-(4-chlorophenyl)carbamate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] N-(4-chlorophenyl)carbamate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off