4-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]benzoic acid
Formula:C17H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C17H14N2O3 |
| Smiles | OC(c(cc1)ccc1N/N=C\C1=Cc(cccc2)c2OC1)=O |
| InChI | InChI=1S/C17H14N2O3/c20-17(21)13-5-7-15(8-6-13)19-18-10-12-9-14-3-1-2-4-16(14)22-11-12/h1-10,19H,11H2,(H,20,21) |
| InChIK | GYJFZWUZJTXRMN-UHFFFAOYSA-N |
| TotalMolweight | 294.309 |
| Molweight | 294.309 |
| MonoisotopicMass | 294.100443 |
| CLogP | 4.0979 |
| CLogS | -3.442 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 228.31 |
| Relative PSA | 0.2589 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.1705 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]benzoic acid
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