5-[[3-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid
Formula:C18H14N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[[3-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid is a drug-like molecule.
| MolName | 5-[[3-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid |
| MolecularFormula | C18H14N4O4 |
| Smiles | N#CCC(N/N=C\c1cn(Cc2ccc(C(O)=O)o2)c2c1cccc2)=O |
| InChI | InChI=1S/C18H14N4O4/c19-8-7-17(23)21-20-9-12-10-22(15-4-2-1-3-14(12)15)11-13-5-6-16(26-13)18(24)25/h1-6,9-10H,7,11H2,(H,21,23)(H,24,25) |
| InChIK | SQRKCCQKYLJEDQ-UHFFFAOYSA-N |
| TotalMolweight | 350.333 |
| Molweight | 350.333 |
| MonoisotopicMass | 350.101506 |
| CLogP | 1.7153 |
| CLogS | -3.666 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 273.81 |
| Relative PSA | 0.35313 |
| PolarSurfaceArea | 120.62 |
| Druglikeness | -1.1078 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-[[3-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]indol-1-yl]methyl]furan-2-carboxylic acid | 2 - 5-[[3-[(Z)-[(2-cyanoacetyl)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