N-[(E)-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)amino]aniline
Formula:C16H21N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)amino]aniline is a drug-like molecule.
| MolName | N-[(E)-(3-pyrrolidin-1-ylcyclohex-2-en-1-ylidene)amino]aniline |
| MolecularFormula | C16H21N3 |
| Smiles | C(CC1)CN1C(CCC1)=C/C1=N/Nc1ccccc1 |
| InChI | InChI=1S/C16H21N3/c1-2-7-14(8-3-1)17-18-15-9-6-10-16(13-15)19-11-4-5-12-19/h1-3,7-8,13,17H,4-6,9-12H2 |
| InChIK | OMGNGZOLYFJDBP-UHFFFAOYSA-N |
| TotalMolweight | 255.364 |
| Molweight | 255.364 |
| MonoisotopicMass | 255.173547 |
| CLogP | 4.8276 |
| CLogS | -3.03 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 212.02 |
| Relative PSA | 0.12508 |
| PolarSurfaceArea | 27.63 |
| Druglikeness | 3.0177 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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