N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
Formula:C16H15N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is a drug-like molecule.
| MolName | N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide |
| MolecularFormula | C16H15N4OF3 |
| Smiles | O=C(c1n[nH]c2c1CCCC2)N/N=C/c1c(C(F)(F)F)cccc1 |
| InChI | InChI=1S/C16H15F3N4O/c17-16(18,19)12-7-3-1-5-10(12)9-20-23-15(24)14-11-6-2-4-8-13(11)21-22-14/h1,3,5,7,9H,2,4,6,8H2,(H,21,22)(H,23,24) |
| InChIK | VLKIRLBQGIBESJ-UHFFFAOYSA-N |
| TotalMolweight | 336.316 |
| Molweight | 336.316 |
| MonoisotopicMass | 336.119795 |
| CLogP | 3.2083 |
| CLogS | -4.212 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 246.32 |
| Relative PSA | 0.24752 |
| PolarSurfaceArea | 70.14 |
| Druglikeness | -6.0354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide | 2 - N-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
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