4-[5-[(Z)-[[(Z)-[5-(4-carboxyphenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C25H18N4O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[[(Z)-[5-(4-carboxyphenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid is not a drug-like molecule.
| MolName | 4-[5-[(Z)-[[(Z)-[5-(4-carboxyphenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C25H18N4O7 |
| Smiles | OC(c(cc1)ccc1-c1ccc(/C=N\NC(N/N=C\c2ccc(-c(cc3)ccc3C(O)=O)o2)=O)o1)=O |
| InChI | InChI=1S/C25H18N4O7/c30-23(31)17-5-1-15(2-6-17)21-11-9-19(35-21)13-26-28-25(34)29-27-14-20-10-12-22(36-20)16-3-7-18(8-4-16)24(32)33/h1-14H,(H,30,31)(H,32,33)(H2,28,29,34) |
| InChIK | CKGVUWHGRYRYNE-UHFFFAOYSA-N |
| TotalMolweight | 486.439 |
| Molweight | 486.439 |
| MonoisotopicMass | 486.117551 |
| CLogP | 4.438 |
| CLogS | -7.776 |
| H Acceptors | 11 |
| H Donors | 4 |
| TotalSurfaceArea | 370.31 |
| Relative PSA | 0.37666 |
| PolarSurfaceArea | 166.73 |
| Druglikeness | 5.5365 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69444 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 19 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-[5-[(Z)-[[(Z)-[5-(4-carboxyphenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 4-[5-[(Z)-[[(Z)-[5-(4-carboxyphenyl)furan-2-yl]methylideneamino]carbamoylhydrazinylidene]methyl]furan-2-yl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off