[(E)-(3-anilino-3-oxopropylidene)amino] N-phenylcarbamate
Formula:C16H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-(3-anilino-3-oxopropylidene)amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-(3-anilino-3-oxopropylidene)amino] N-phenylcarbamate |
| MolecularFormula | C16H15N3O3 |
| Smiles | O=C(C/C=N/OC(Nc1ccccc1)=O)Nc1ccccc1 |
| InChI | InChI=1S/C16H15N3O3/c20-15(18-13-7-3-1-4-8-13)11-12-17-22-16(21)19-14-9-5-2-6-10-14/h1-10,12H,11H2,(H,18,20)(H,19,21) |
| InChIK | XTQNMADRVRGJPB-UHFFFAOYSA-N |
| TotalMolweight | 297.313 |
| Molweight | 297.313 |
| MonoisotopicMass | 297.111342 |
| CLogP | 2.9978 |
| CLogS | -4.283 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 239.96 |
| Relative PSA | 0.29384 |
| PolarSurfaceArea | 79.79 |
| Druglikeness | -5.1168 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - [(E)-(3-anilino-3-oxopropylidene)amino] N-phenylcarbamate | 2 - [(E)-(3-anilino-3-oxopropylidene)amino] N-phenylcarbamate
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