2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetic acid
Formula:C19H13N4O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetic acid |
| MolecularFormula | C19H13N4O3F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1cn(CC(O)=O)c2c1cccc2)=O |
| InChI | InChI=1S/C19H13FN4O3/c20-16-7-12(8-21)5-6-15(16)19(27)23-22-9-13-10-24(11-18(25)26)17-4-2-1-3-14(13)17/h1-7,9-10H,11H2,(H,23,27)(H,25,26) |
| InChIK | HDQLNJCDWNSLGE-UHFFFAOYSA-N |
| TotalMolweight | 364.335 |
| Molweight | 364.335 |
| MonoisotopicMass | 364.097169 |
| CLogP | 2.2899 |
| CLogS | -4.476 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.71 |
| Relative PSA | 0.29844 |
| PolarSurfaceArea | 107.48 |
| Druglikeness | -5.4033 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetic acid | 2 - 2-[3-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]indol-1-yl]acetic acid
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