styrylcoumarin | SBID = 1040 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C21H23IN2O2 | ||
| M / g/mol: | 462.32399 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: styrylcoumarin
- Preferred Abbreviation: styrylcoumarin-1
- IUPAC Name:
- CAS:
- CID: -332
- InChiKey: FFCPVXKGPVUFCD-UHFFFAOYSA-M
- InChi: InChI=1S/C21H23N2O2.HI/c1-4-23(5-2)19-9-8-17-14-18(21(24)25-20(17)15-19)7-6-16-10-12-22(3)13-11-16;/h6-15H,4-5H2,1-3H3;1H/q+1;/p-1
- CanoSmiles: CCN(c1ccc2c(c1)oc(=O)c(c2)/C=C/c1cc[n+](cc1)C)CC.[I-]
- IsoSmiles: C[N+](C=C3)=CC=C3/C=C/C2=CC1=CC=C(N(CC)CC)C=C1OC2=O.[I-]
