3-[3-[(Z)-(4-benzhydrylpiperazin-1-yl)iminomethyl]indol-1-yl]propanenitrile
Formula:C29H29N5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[3-[(Z)-(4-benzhydrylpiperazin-1-yl)iminomethyl]indol-1-yl]propanenitrile is a drug-like molecule.
| MolName | 3-[3-[(Z)-(4-benzhydrylpiperazin-1-yl)iminomethyl]indol-1-yl]propanenitrile |
| MolecularFormula | C29H29N5 |
| Smiles | N#CCCn1c(cccc2)c2c(/C=N\N(CC2)CCN2C(c2ccccc2)c2ccccc2)c1 |
| InChI | InChI=1S/C29H29N5/c30-16-9-17-33-23-26(27-14-7-8-15-28(27)33)22-31-34-20-18-32(19-21-34)29(24-10-3-1-4-11-24)25-12-5-2-6-13-25/h1-8,10-15,22-23,29H,9,17-21H2 |
| InChIK | ZDLNAQMHNJKJHW-UHFFFAOYSA-N |
| TotalMolweight | 447.584 |
| Molweight | 447.584 |
| MonoisotopicMass | 447.242295 |
| CLogP | 4.863 |
| CLogS | -4.527 |
| H Acceptors | 5 |
| TotalSurfaceArea | 365.21 |
| Relative PSA | 0.1069 |
| PolarSurfaceArea | 47.56 |
| Druglikeness | -0.24486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 9 |
| Symmetricatoms | 10 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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