5-nitro-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
Formula:C18H14N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one is a drug-like molecule.
| MolName | 5-nitro-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one |
| MolecularFormula | C18H14N4O5 |
| Smiles | [O-][N+](C(C(c1ccccc1)N1)=C(/C=C/c2cccc([N+]([O-])=O)c2)NC1=O)=O |
| InChI | InChI=1S/C18H14N4O5/c23-18-19-15(10-9-12-5-4-8-14(11-12)21(24)25)17(22(26)27)16(20-18)13-6-2-1-3-7-13/h1-11,16H,(H2,19,20,23)/t16-/m1/s1 |
| InChIK | VCOUGGYQFCCVEO-MRXNPFEDSA-N |
| TotalMolweight | 366.332 |
| Molweight | 366.332 |
| MonoisotopicMass | 366.096421 |
| CLogP | 1.4568 |
| CLogS | -4.978 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 269.45 |
| Relative PSA | 0.35925 |
| PolarSurfaceArea | 132.77 |
| Druglikeness | -3.6722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 5-nitro-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one | 2 - 5-nitro-6-[(E)-2-(3-nitrophenyl)ethenyl]-4-phenyl-3,4-dihydro-1H-pyrimidin-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off