Chemical Property of CID 16129736
Chemical Property:
- PSA：346.35000
- Density:1.75±0.1 g/cm3(Predicted)
- LogP:10.90300
- XLogP3:9.8
- Hydrogen Bond Donor Count:12
- Hydrogen Bond Acceptor Count:15
- Rotatable Bond Count:9
- Exact Mass:1327.107530
- Heavy Atom Count:89
- Complexity:2560
- Purity/Quality:
-
99% *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
SDS file from LookChem
Useful:
- Canonical SMILES:CN1C(CC2=CC=C(C=C2)OC3=CC4=CC(=C3O)C5=CC6=C(C=C5)C(=CN6)CC(C(=O)NC(C(=O)NC4C(=O)NC(C1=O)C7=CC(=C(C(=C7)Cl)O)Cl)C8=CC(=C(C(=C8)Cl)O)Cl)NC(=O)C(=O)C9=CC(=C(C(=C9)Cl)O)Cl)C(=O)NC(C1=CC=C(C=C1)O)C(=O)O
- Isomeric SMILES:CN1[C@@H](CC2=CC=C(C=C2)OC3=CC4=CC(=C3O)C5=CC6=C(C=C5)C(=CN6)C[C@@H](C(=O)N[C@H](C(=O)N[C@H]4C(=O)N[C@@H](C1=O)C7=CC(=C(C(=C7)Cl)O)Cl)C8=CC(=C(C(=C8)Cl)O)Cl)NC(=O)C(=O)C9=CC(=C(C(=C9)Cl)O)Cl)C(=O)N[C@H](C1=CC=C(C=C1)O)C(=O)O
