(1S,2S)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
Formula:C19H17N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2S)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide is a drug-like molecule.
| MolName | (1S,2S)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide |
| MolecularFormula | C19H17N3O4 |
| Smiles | [O-][N+](c1ccc(/C=C/C(NNC([C@@H](C2)[C@H]2c2ccccc2)=O)=O)cc1)=O |
| InChI | InChI=1S/C19H17N3O4/c23-18(11-8-13-6-9-15(10-7-13)22(25)26)20-21-19(24)17-12-16(17)14-4-2-1-3-5-14/h1-11,16-17H,12H2,(H,20,23)(H,21,24)/t16-,17-/m0/s1 |
| InChIK | XQCBUEOBLUJVME-IRXDYDNUSA-N |
| TotalMolweight | 351.361 |
| Molweight | 351.361 |
| MonoisotopicMass | 351.121907 |
| CLogP | 1.6439 |
| CLogS | -4.719 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 266.87 |
| Relative PSA | 0.2976 |
| PolarSurfaceArea | 104.02 |
| Druglikeness | -2.9879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1S,2S)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide | 2 - (1S,2S)-N'-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-2-phenylcyclopropane-1-carbohydrazide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off