(2-carbamoylphenyl) 4-(hydrazinylmethylideneamino)benzoate
Formula:C15H14N4O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
(2-carbamoylphenyl) 4-(hydrazinylmethylideneamino)benzoate is a drug-like molecule.
| MolName | (2-carbamoylphenyl) 4-(hydrazinylmethylideneamino)benzoate |
| MolecularFormula | C15H14N4O3 |
| Smiles | NC(c(cccc1)c1OC(c(cc1)ccc1/N=C/NN)=O)=O |
| InChI | InChI=1S/C15H14N4O3/c16-14(20)12-3-1-2-4-13(12)22-15(21)10-5-7-11(8-6-10)18-9-19-17/h1-9H,17H2,(H2,16,20)(H,18,19) |
| InChIK | STQQYYZPPNMYEO-UHFFFAOYSA-N |
| TotalMolweight | 298.301 |
| Molweight | 298.301 |
| MonoisotopicMass | 298.106591 |
| CLogP | 0.1265 |
| CLogS | -3.758 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 231.78 |
| Relative PSA | 0.38653 |
| PolarSurfaceArea | 119.8 |
| Druglikeness | -2.8162 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | hydrazine |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (2-carbamoylphenyl) 4-(hydrazinylmethylideneamino)benzoate | 2 - (2-carbamoylphenyl) 4-(hydrazinylmethylideneamino)benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off