2-chloro-5-[5-[(Z)-[(5-nitropyridine-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C18H11N4O6Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[5-[(Z)-[(5-nitropyridine-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-[(5-nitropyridine-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C18H11N4O6Cl |
| Smiles | [O-][N+](c(cc1)cnc1C(N/N=C\c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1)=O)=O |
| InChI | InChI=1S/C18H11ClN4O6/c19-14-4-1-10(7-13(14)18(25)26)16-6-3-12(29-16)9-21-22-17(24)15-5-2-11(8-20-15)23(27)28/h1-9H,(H,22,24)(H,25,26) |
| InChIK | WHZWJZZIRMQBLC-UHFFFAOYSA-N |
| TotalMolweight | 414.76 |
| Molweight | 414.76 |
| MonoisotopicMass | 414.036713 |
| CLogP | 2.3631 |
| CLogS | -5.619 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 298.39 |
| Relative PSA | 0.39428 |
| PolarSurfaceArea | 150.61 |
| Druglikeness | 1.2997 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-5-[5-[(Z)-[(5-nitropyridine-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-5-[5-[(Z)-[(5-nitropyridine-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off