[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(4-chlorophenoxy)acetate
Formula:C15H13N4O3ClS
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
[6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(4-chlorophenoxy)acetate is a drug-like molecule.
| MolName | [6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(4-chlorophenoxy)acetate |
| MolecularFormula | C15H13N4O3ClS |
| Smiles | NC(N/N=C\c(cc1)ncc1OC(COc(cc1)ccc1Cl)=O)=S |
| InChI | InChI=1S/C15H13ClN4O3S/c16-10-1-4-12(5-2-10)22-9-14(21)23-13-6-3-11(18-8-13)7-19-20-15(17)24/h1-8H,9H2,(H3,17,20,24) |
| InChIK | MMDRMMMYUBKHFV-UHFFFAOYSA-N |
| TotalMolweight | 364.812 |
| Molweight | 364.812 |
| MonoisotopicMass | 364.039688 |
| CLogP | 2.1965 |
| CLogS | -4.113 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.16 |
| Relative PSA | 0.39923 |
| PolarSurfaceArea | 130.92 |
| Druglikeness | 2.1118 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(4-chlorophenoxy)acetate | 2 - [6-[(Z)-(carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(4-chlorophenoxy)acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off