[(E)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-phenylcarbamate
Formula:C16H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-phenylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-phenylcarbamate |
| MolecularFormula | C16H15N3O4 |
| Smiles | N/C(/C1Oc(cccc2)c2OC1)=N/OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C16H15N3O4/c17-15(14-10-21-12-8-4-5-9-13(12)22-14)19-23-16(20)18-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,17,19)(H,18,20)/t14-/m0/s1 |
| InChIK | LPGNDHZNBMPAEY-AWEZNQCLSA-N |
| TotalMolweight | 313.312 |
| Molweight | 313.312 |
| MonoisotopicMass | 313.106257 |
| CLogP | 2.6081 |
| CLogS | -4.074 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 236.48 |
| Relative PSA | 0.34371 |
| PolarSurfaceArea | 95.17 |
| Druglikeness | -5.437 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - [(E)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-phenylcarbamate | 2 - [(E)-[amino(2,3-dihydro-1,4-benzodioxin-3-yl)methylidene]amino] N-phenylcarbamate
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