clodronate | SBID = 1444 | Compound | Custom Molecule

Struc Structure

Download Image

Molecular Properties

Interactions: 1
PubChem TPSA/Å2:
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP):
Hydrophilicity (Cheng XLogP3):
Charge: -4.0
Number of H-Bond Donors: 0.0
Number of H-Bond Acceptors: 6.0
Number of Stereogenic Bonds (E/Z):
Number of Stereogenic Atoms (R/S):
3D Volume/Å3:
Sum Formula: CCl2O6P2----
M / g/mol: 240.860622
Complexity:
Number of Conformers:

Identifiers

  • Tags:
  • Name: clodronate
  • Preferred Abbreviation:
  • IUPAC Name:
  • CAS:
  • CID: -532
  • InChiKey: ACSIXWWBWUQEHA-UHFFFAOYSA-J
  • InChi: InChI=1S/CH4Cl2O6P2/c2-1(3,10(4,5)6)11(7,8)9/h(H2,4,5,6)(H2,7,8,9)/p-4
  • CanoSmiles: ClC(P(=O)([O-])[O-])(P(=O)([O-])[O-])Cl
  • IsoSmiles: O=P([O-])(C(Cl)(P([O-])([O-])=O)Cl)[O-]