2-chloro-5-[5-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate
Formula:C15H9N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[5-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-[(2-cyanoacetyl)hydrazinylidene]methyl]furan-2-yl]benzoate |
| MolecularFormula | C15H9N3O4Cl |
| Smiles | N#CCC(N/N=C\c1ccc(-c(cc2)cc(C([O-])=O)c2Cl)o1)=O |
| InChI | InChI=1S/C15H10ClN3O4/c16-12-3-1-9(7-11(12)15(21)22)13-4-2-10(23-13)8-18-19-14(20)5-6-17/h1-4,7-8H,5H2,(H,19,20)(H,21,22)/p-1 |
| InChIK | OBZSQODOGMEVNW-UHFFFAOYSA-M |
| TotalMolweight | 330.706 |
| Molweight | 330.706 |
| MonoisotopicMass | 330.028159 |
| CLogP | 0.4118 |
| CLogS | -5.178 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 252.85 |
| Relative PSA | 0.3599 |
| PolarSurfaceArea | 118.52 |
| Druglikeness | -0.68721 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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