n9-Formylharman
PubChem CID: 129650345
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| Compound Synonyms | n9-formylharman |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | O=Cncccccc6cc9C=NCC6)))C |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Harmala alkaloids |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CNCCC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 326.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-3,4-dihydropyrido[3,4-b]indole-9-carbaldehyde |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 1.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H12N2O |
| Scaffold Graph Node Bond Level | C1=NCCc2c1[nH]c1ccccc21 |
| Inchi Key | UVDMQKFZJPSOJT-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | harman, n9-formyl, n9-formylharman |
| Esol Class | Soluble |
| Functional Groups | cC(C)=NC, cn(c)C=O |
| Compound Name | n9-Formylharman |
| Exact Mass | 212.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.095 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 212.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H12N2O/c1-9-13-11(6-7-14-9)10-4-2-3-5-12(10)15(13)8-16/h2-5,8H,6-7H2,1H3 |
| Smiles | CC1=NCCC2=C1N(C3=CC=CC=C23)C=O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Reference:ISBN:9788185042138