[(E)-pyridin-4-ylmethylideneamino] N-(2-chlorophenyl)carbamate
Formula:C13H10N3O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-pyridin-4-ylmethylideneamino] N-(2-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(E)-pyridin-4-ylmethylideneamino] N-(2-chlorophenyl)carbamate |
| MolecularFormula | C13H10N3O2Cl |
| Smiles | O=C(Nc(cccc1)c1Cl)O/N=C/c1ccncc1 |
| InChI | InChI=1S/C13H10ClN3O2/c14-11-3-1-2-4-12(11)17-13(18)19-16-9-10-5-7-15-8-6-10/h1-9H,(H,17,18) |
| InChIK | WDMKRUMYIDFBKJ-UHFFFAOYSA-N |
| TotalMolweight | 275.694 |
| Molweight | 275.694 |
| MonoisotopicMass | 275.046154 |
| CLogP | 3.5171 |
| CLogS | -4.228 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 211.17 |
| Relative PSA | 0.26983 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -6.178 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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