Chemical Property of Dispegatrine
Chemical Property:
- Boiling Point:°Cat760mmHg
- Flash Point:°C
- PSA：112.50000
- Density:g/cm3
- LogP:5.64640
- XLogP3:3.2
- Hydrogen Bond Donor Count:6
- Hydrogen Bond Acceptor Count:4
- Rotatable Bond Count:3
- Exact Mass:648.36755603
- Heavy Atom Count:48
- Complexity:1290
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
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SDS file from LookChem
Useful:
- Canonical SMILES:CC=C1C[N+]2(C3CC1C(C2CC4=C3NC5=C4C(=C(C=C5)O)C6=C(C=CC7=C6C8=C(N7)C9CC1C(C(C8)[N+]9(CC1=CC)C)CO)O)CO)C
- Isomeric SMILES:C/C=C/1\C2C(C3[N+](C1)(C(C2)C4=C(C3)C5=C(N4)C=CC(=C5C6=C(C=CC7=C6C8=C(N7)C9[N+]1(C(C8)C(C(C9)/C(=C\C)/C1)CO)C)O)O)C)CO
