2-Methyl-1,10-phenanthroline
PubChem CID: 4913356
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| Compound Synonyms | 2-methyl-1,10-phenanthroline, 3002-77-5, 1,10-Phenanthroline, 2-methyl-, MFCD06643855, DTXSID60406766, Methyl-1,10-phenanthroline, MLS001001117, SCHEMBL3193864, CHEMBL1728912, DTXCID10357618, AKOS000282830, CS-W004548, FM34968, MB03849, AS-37989, SMR000498798, SY056526, M2512 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CCC1CCCCC12 |
| Deep Smiles | Ccccccn6)cncccc6cc%10 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Phenanthrolines |
| Scaffold Graph Node Level | C1CNC2C(C1)CCC1CCCNC12 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 229.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-1,10-phenanthroline |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H10N2 |
| Scaffold Graph Node Bond Level | c1cnc2c(c1)ccc1cccnc12 |
| Inchi Key | LQZDYPHFVGRHKD-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-methyl-1,10-phenanthroline |
| Esol Class | Soluble |
| Functional Groups | cnc |
| Compound Name | 2-Methyl-1,10-phenanthroline |
| Exact Mass | 194.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 194.23 |
| 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/C13H10N2/c1-9-4-5-11-7-6-10-3-2-8-14-12(10)13(11)15-9/h2-8H,1H3 |
| Smiles | CC1=NC2=C(C=C1)C=CC3=C2N=CC=C3 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Myristica Fragrans (Plant) Rel Props:Reference:ISBN:9770972795006