3-[[3-[(Z)-[[2-(2-nitrophenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid
Formula:C25H20N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[3-[(Z)-[[2-(2-nitrophenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid is a drug-like molecule.
| MolName | 3-[[3-[(Z)-[[2-(2-nitrophenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid |
| MolecularFormula | C25H20N4O5 |
| Smiles | [O-][N+](c1c(CC(N/N=C\c2cn(Cc3cc(C(O)=O)ccc3)c3c2cccc3)=O)cccc1)=O |
| InChI | InChI=1S/C25H20N4O5/c30-24(13-18-7-1-3-10-22(18)29(33)34)27-26-14-20-16-28(23-11-4-2-9-21(20)23)15-17-6-5-8-19(12-17)25(31)32/h1-12,14,16H,13,15H2,(H,27,30)(H,31,32) |
| InChIK | NWYQRPDMOHJJRO-UHFFFAOYSA-N |
| TotalMolweight | 456.457 |
| Molweight | 456.457 |
| MonoisotopicMass | 456.143371 |
| CLogP | 3.2929 |
| CLogS | -5.137 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 345.84 |
| Relative PSA | 0.28753 |
| PolarSurfaceArea | 129.51 |
| Druglikeness | 0.81062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 3-[[3-[(Z)-[[2-(2-nitrophenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid | 2 - 3-[[3-[(Z)-[[2-(2-nitrophenyl)acetyl]hydrazinylidene]methyl]indol-1-yl]methyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off