[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] N-naphthalen-1-ylcarbamate
Formula:C17H15N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-(1-amino-2-thiophen-2-ylethylidene)amino] N-naphthalen-1-ylcarbamate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-thiophen-2-ylethylidene)amino] N-naphthalen-1-ylcarbamate |
| MolecularFormula | C17H15N3O2S |
| Smiles | N/C(/Cc1cccs1)=N/OC(Nc1cccc2ccccc12)=O |
| InChI | InChI=1S/C17H15N3O2S/c18-16(11-13-7-4-10-23-13)20-22-17(21)19-15-9-3-6-12-5-1-2-8-14(12)15/h1-10H,11H2,(H2,18,20)(H,19,21) |
| InChIK | FWIUPOSDDYPBHF-UHFFFAOYSA-N |
| TotalMolweight | 325.391 |
| Molweight | 325.391 |
| MonoisotopicMass | 325.088497 |
| CLogP | 4.1251 |
| CLogS | -5.633 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 248.02 |
| Relative PSA | 0.32917 |
| PolarSurfaceArea | 104.95 |
| Druglikeness | -3.415 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
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