2-chloro-5-[5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C27H20N7O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C27H20N7O3Cl |
| Smiles | OC(c(cc(cc1)-c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)c1Cl)=O |
| InChI | InChI=1S/C27H20ClN7O3/c28-22-13-11-17(15-21(22)24(36)37)23-14-12-20(38-23)16-29-35-27-33-25(30-18-7-3-1-4-8-18)32-26(34-27)31-19-9-5-2-6-10-19/h1-16H,(H,36,37)(H3,30,31,32,33,34,35) |
| InChIK | NCUWQDYBTCIACW-UHFFFAOYSA-N |
| TotalMolweight | 525.955 |
| Molweight | 525.955 |
| MonoisotopicMass | 525.131615 |
| CLogP | 7.8421 |
| CLogS | -8.7 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 396.93 |
| Relative PSA | 0.29993 |
| PolarSurfaceArea | 137.56 |
| Druglikeness | 4.421 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-5-[5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-5-[5-[(Z)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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