(Z)-1-naphthalen-2-yl-3-(3-nitroanilino)prop-2-en-1-one
Formula:C19H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-naphthalen-2-yl-3-(3-nitroanilino)prop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-1-naphthalen-2-yl-3-(3-nitroanilino)prop-2-en-1-one |
| MolecularFormula | C19H14N2O3 |
| Smiles | [O-][N+](c1cc(N/C=C\C(c2cc3ccccc3cc2)=O)ccc1)=O |
| InChI | InChI=1S/C19H14N2O3/c22-19(16-9-8-14-4-1-2-5-15(14)12-16)10-11-20-17-6-3-7-18(13-17)21(23)24/h1-13,20H |
| InChIK | NDFPATRNDBIXIW-UHFFFAOYSA-N |
| TotalMolweight | 318.331 |
| Molweight | 318.331 |
| MonoisotopicMass | 318.100443 |
| CLogP | 2.7473 |
| CLogS | -5.852 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 247 |
| Relative PSA | 0.22235 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -4.5825 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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