(E)-[anilino(phenyl)methylidene]thiourea
Formula:C14H13N3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-[anilino(phenyl)methylidene]thiourea is a drug-like molecule.
| MolName | (E)-[anilino(phenyl)methylidene]thiourea |
| MolecularFormula | C14H13N3S |
| Smiles | NC(/N=C(\c1ccccc1)/Nc1ccccc1)=S |
| InChI | InChI=1S/C14H13N3S/c15-14(18)17-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,15,16,17,18) |
| InChIK | YEDWMNOEZVHVMT-UHFFFAOYSA-N |
| TotalMolweight | 255.344 |
| Molweight | 255.344 |
| MonoisotopicMass | 255.083017 |
| CLogP | 2.7644 |
| CLogS | -3.813 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 208.68 |
| Relative PSA | 0.31742 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -0.15375 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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