(1Z)-1-[[(2,4-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea
Formula:C15H13N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1Z)-1-[[(2,4-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea is a drug-like molecule.
| MolName | (1Z)-1-[[(2,4-dichlorophenyl)methoxyamino]methylidene]-3-phenylthiourea |
| MolecularFormula | C15H13N3OCl2S |
| Smiles | S=C(Nc1ccccc1)/N=C\NOCc(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H13Cl2N3OS/c16-12-7-6-11(14(17)8-12)9-21-19-10-18-15(22)20-13-4-2-1-3-5-13/h1-8,10H,9H2,(H2,18,19,20,22) |
| InChIK | SNZUAPZUWUCPMQ-UHFFFAOYSA-N |
| TotalMolweight | 354.26 |
| Molweight | 354.26 |
| MonoisotopicMass | 353.015636 |
| CLogP | 3.6666 |
| CLogS | -5.81 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 268.01 |
| Relative PSA | 0.27025 |
| PolarSurfaceArea | 77.74 |
| Druglikeness | -0.21997 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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