1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
Formula:C28H31N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol is a drug-like molecule.
| MolName | 1-carbazol-9-yl-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol |
| MolecularFormula | C28H31N3O |
| Smiles | OC(Cn1c(cccc2)c2c2c1cccc2)CN1CCN(C/C=C/c2ccccc2)CC1 |
| InChI | InChI=1S/C28H31N3O/c32-24(22-31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)21-30-19-17-29(18-20-30)16-8-11-23-9-2-1-3-10-23/h1-15,24,32H,16-22H2/t24-/m1/s1 |
| InChIK | IFHXPTNRJZKDAL-XMMPIXPASA-N |
| TotalMolweight | 425.574 |
| Molweight | 425.574 |
| MonoisotopicMass | 425.246712 |
| CLogP | 4.3885 |
| CLogS | -3.713 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 340.19 |
| Relative PSA | 0.079573 |
| PolarSurfaceArea | 31.64 |
| Druglikeness | 7.3188 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 11 |
| Symmetricatoms | 10 |
| Amines | 2 |
| AlkylAmines | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 2 |
| StereoCon | racemate |
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