Fnifpetvaysmhi-uhfffaoysa-
PubChem CID: 10739636
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| Compound Synonyms | FNIFPETVAYSMHI-UHFFFAOYSA-, InChI=1/C27H18N4/c1-30-22-12-6-4-10-20(22)27(25-26(30)19-9-2-5-11-21(19)29-25)31-23-13-7-3-8-17(23)18-14-15-28-16-24(18)31/h2-16H,1H3 |
|---|---|
| Topological Polar Surface Area | 35.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 668.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-11-pyrido[3,4-b]indol-9-ylindolo[3,2-b]quinoline |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C27H18N4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNIFPETVAYSMHI-UHFFFAOYSA-N |
| Fcsp3 | 0.037037037037037 |
| Logs | -7.938 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.759 |
| Compound Name | Fnifpetvaysmhi-uhfffaoysa- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 398.153 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 398.153 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 398.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.551636832258065 |
| Inchi | InChI=1S/C27H18N4/c1-30-22-12-6-4-10-20(22)27(25-26(30)19-9-2-5-11-21(19)29-25)31-23-13-7-3-8-17(23)18-14-15-28-16-24(18)31/h2-16H,1H3 |
| Smiles | CN1C2=CC=CC=C2C(=C3C1=C4C=CC=CC4=N3)N5C6=CC=CC=C6C7=C5C=NC=C7 |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ambrosia Maritima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Erysimum Diffusum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Wisteria Brachybotrys (Plant) Rel Props:Source_db:cmaup_ingredients