2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]phenol
Formula:C20H11N3O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]phenol is a drug-like molecule.
| MolName | 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]phenol |
| MolecularFormula | C20H11N3O7 |
| Smiles | [O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=C/c(cccc4)c4O)c1-c2c3[N+]([O-])=O)=O |
| InChI | InChI=1S/C20H11N3O7/c24-19-4-2-1-3-11(19)7-15-16-8-12(21(25)26)5-6-14(16)20-17(15)9-13(22(27)28)10-18(20)23(29)30/h1-10,24H |
| InChIK | DMXOQQWVRNSNDX-UHFFFAOYSA-N |
| TotalMolweight | 405.321 |
| Molweight | 405.321 |
| MonoisotopicMass | 405.059702 |
| CLogP | 2.1904 |
| CLogS | -7.041 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 281.35 |
| Relative PSA | 0.37093 |
| PolarSurfaceArea | 157.69 |
| Druglikeness | -5.9993 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.36667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| AcidicOxygens | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]phenol | 2 - 2-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)methyl]phenol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off