5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-one
PubChem CID: 321176
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| Compound Synonyms | N-Methylcrinasiadine, 40141-98-8, NSC270700, 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-6-one, CHEMBL2208201, DTXSID50313495, 5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-one, NSC-270700 |
|---|---|
| Topological Polar Surface Area | 38.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 386.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C15H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CDCHSQZENQTMRA-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -6.223 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.081 |
| Compound Name | 5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-6(5H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 253.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 253.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 253.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.418756557894737 |
| Inchi | InChI=1S/C15H11NO3/c1-16-12-5-3-2-4-9(12)10-6-13-14(19-8-18-13)7-11(10)15(16)17/h2-7H,8H2,1H3 |
| Smiles | CN1C2=CC=CC=C2C3=CC4=C(C=C3C1=O)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zephyranthes Candida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all