(Z)-3-(4-chloro-2-nitroanilino)-1-naphthalen-2-ylprop-2-en-1-one
Formula:C19H13N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-(4-chloro-2-nitroanilino)-1-naphthalen-2-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (Z)-3-(4-chloro-2-nitroanilino)-1-naphthalen-2-ylprop-2-en-1-one |
| MolecularFormula | C19H13N2O3Cl |
| Smiles | [O-][N+](c(cc(cc1)Cl)c1N/C=C\C(c1cc2ccccc2cc1)=O)=O |
| InChI | InChI=1S/C19H13ClN2O3/c20-16-7-8-17(18(12-16)22(24)25)21-10-9-19(23)15-6-5-13-3-1-2-4-14(13)11-15/h1-12,21H |
| InChIK | YABGWRDFEBQYMX-UHFFFAOYSA-N |
| TotalMolweight | 352.776 |
| Molweight | 352.776 |
| MonoisotopicMass | 352.06147 |
| CLogP | 3.3533 |
| CLogS | -6.588 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 262.42 |
| Relative PSA | 0.20928 |
| PolarSurfaceArea | 74.92 |
| Druglikeness | -4.4918 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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