(E)-2-(3-nitrophenyl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile
Formula:C19H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(3-nitrophenyl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(3-nitrophenyl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile |
| MolecularFormula | C19H13N3O2 |
| Smiles | N#C/C(/c1cccc([N+]([O-])=O)c1)=C/c1cccn1-c1ccccc1 |
| InChI | InChI=1S/C19H13N3O2/c20-14-16(15-6-4-9-19(12-15)22(23)24)13-18-10-5-11-21(18)17-7-2-1-3-8-17/h1-13H |
| InChIK | DLZUGAZMTOOCHQ-UHFFFAOYSA-N |
| TotalMolweight | 315.331 |
| Molweight | 315.331 |
| MonoisotopicMass | 315.100777 |
| CLogP | 2.6499 |
| CLogS | -6.426 |
| H Acceptors | 5 |
| TotalSurfaceArea | 252.07 |
| Relative PSA | 0.20173 |
| PolarSurfaceArea | 74.54 |
| Druglikeness | -8.2308 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-2-(3-nitrophenyl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile | 2 - (E)-2-(3-nitrophenyl)-3-(1-phenylpyrrol-2-yl)prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off