[(2S)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
Formula:C21H21N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(2S)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium is a drug-like molecule.
| MolName | [(2S)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium |
| MolecularFormula | C21H21N4O2 |
| Smiles | [NH3+][C@@H](Cc1c[nH]c2c1cccc2)C(N/N=C\C1=Cc(cccc2)c2OC1)=O |
| InChI | InChI=1S/C21H20N4O2/c22-18(10-16-12-23-19-7-3-2-6-17(16)19)21(26)25-24-11-14-9-15-5-1-4-8-20(15)27-13-14/h1-9,11-12,18,23H,10,13,22H2,(H,25,26)/p+1/t18-/m0/s1 |
| InChIK | KPQGFNLCXWFIME-SFHVURJKSA-O |
| TotalMolweight | 361.424 |
| Molweight | 361.424 |
| MonoisotopicMass | 361.166451 |
| CLogP | -1.125 |
| CLogS | -4.438 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 280.12 |
| Relative PSA | 0.26589 |
| PolarSurfaceArea | 94.12 |
| Druglikeness | 3.8991 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 5 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - [(2S)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium | 2 - [(2S)-1-[(2Z)-2-(2H-chromen-3-ylmethylidene)hydrazinyl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium
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