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Chemistry

Mol. Mass

754.01

ALogP

9.06

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CC1(C)\C(=C\C=C\C=C\C=C\C2=[N+](CCCCS(=O)(=O)O)c3ccc4ccccc4c3C2(C)C)\N(CCCCS(=O)(=O)O)c5ccc6ccccc6c15
  • InChIKey: BDBMLMBYCXNVMC-UHFFFAOYSA-O
    InChI=1S/C43H48N2O6S2/c1-42(2)38(44(28-14-16-30-52(46,47)48)36-26-24-32-18-10-12-20-34(32)40(36)42)22-8-6-5-7-9-23-39-43(3,4)41-35-21-13-11-19-33(35)25-27-37(41)45(39)29-15-17-31-53(49,50)51/h5-13,18-27H,14-17,28-31H2,1-4H3,(H-,46,47,48,49,50,51)/p+1
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1615807   ChEMBL
indocyanine green *

CHEMBL1201304   ChEMBL
indocyanine green

CHEMBL1646   ChEMBL
indocyanine green

C4V974V932   NCATS
indocyanine green acid form *

Indocyanine green   Wikipedia

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