5-[[3-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
Formula:C22H17N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[3-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.
| MolName | 5-[[3-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid |
| MolecularFormula | C22H17N3O5 |
| Smiles | OC(c1ccc(Cn2c(cccc3)c3c(/C=N\NC(c(cc3)ccc3O)=O)c2)o1)=O |
| InChI | InChI=1S/C22H17N3O5/c26-16-7-5-14(6-8-16)21(27)24-23-11-15-12-25(19-4-2-1-3-18(15)19)13-17-9-10-20(30-17)22(28)29/h1-12,26H,13H2,(H,24,27)(H,28,29) |
| InChIK | UVLLHIXWWYYVOF-UHFFFAOYSA-N |
| TotalMolweight | 403.393 |
| Molweight | 403.393 |
| MonoisotopicMass | 403.116822 |
| CLogP | 3.1134 |
| CLogS | -4.122 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 304.45 |
| Relative PSA | 0.31608 |
| PolarSurfaceArea | 117.06 |
| Druglikeness | 6.0901 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[[3-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid | 2 - 5-[[3-[(Z)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off