(4-nitrophenyl)-[(3E)-3-[(4-nitrophenyl)methylidene]inden-1-yl]methanol
Formula:C23H16N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(4-nitrophenyl)-[(3E)-3-[(4-nitrophenyl)methylidene]inden-1-yl]methanol is a drug-like molecule.
| MolName | (4-nitrophenyl)-[(3E)-3-[(4-nitrophenyl)methylidene]inden-1-yl]methanol |
| MolecularFormula | C23H16N2O5 |
| Smiles | [O-][N+](c1ccc(C(C(c2c3cccc2)=C/C3=C\c(cc2)ccc2[N+]([O-])=O)O)cc1)=O |
| InChI | InChI=1S/C23H16N2O5/c26-23(16-7-11-19(12-8-16)25(29)30)22-14-17(20-3-1-2-4-21(20)22)13-15-5-9-18(10-6-15)24(27)28/h1-14,23,26H/t23-/m1/s1 |
| InChIK | WOSWZZDCBFFXRQ-HSZRJFAPSA-N |
| TotalMolweight | 400.389 |
| Molweight | 400.389 |
| MonoisotopicMass | 400.105923 |
| CLogP | 2.4142 |
| CLogS | -5.171 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.89 |
| Relative PSA | 0.25074 |
| PolarSurfaceArea | 111.87 |
| Druglikeness | -5.1999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
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