N-[(E)-[1-phenyl-2-(2-phenyl-3,4-dihydropyrazol-3-yl)ethylidene]amino]aniline
Formula:C23H22N4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[1-phenyl-2-(2-phenyl-3,4-dihydropyrazol-3-yl)ethylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[1-phenyl-2-(2-phenyl-3,4-dihydropyrazol-3-yl)ethylidene]amino]aniline |
| MolecularFormula | C23H22N4 |
| Smiles | C(C1N(c2ccccc2)N=CC1)/C(/c1ccccc1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C23H22N4/c1-4-10-19(11-5-1)23(26-25-20-12-6-2-7-13-20)18-22-16-17-24-27(22)21-14-8-3-9-15-21/h1-15,17,22,25H,16,18H2/t22-/m0/s1 |
| InChIK | FHOOQCMDWIVKCV-QFIPXVFZSA-N |
| TotalMolweight | 354.456 |
| Molweight | 354.456 |
| MonoisotopicMass | 354.184446 |
| CLogP | 6.7047 |
| CLogS | -5.02 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 288.79 |
| Relative PSA | 0.13169 |
| PolarSurfaceArea | 39.99 |
| Druglikeness | 4.1774 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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1 - N-[(E)-[1-phenyl-2-(2-phenyl-3,4-dihydropyrazol-3-yl)ethylidene]amino]aniline | 2 - N-[(E)-[1-phenyl-2-(2-phenyl-3,4-dihydropyrazol-3-yl)ethylidene]amino]aniline
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