rhodamine123   Click here for help

GtoPdb Ligand ID: 4607

Synonyms: rhodamine 123
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 91.05
Molecular weight 345.12
XLogP 5.14
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES COC(=O)c1ccccc1c1c2ccc(=[NH2+])cc2oc2c1ccc(c2)N
Isomeric SMILES COC(=O)c1ccccc1c1c2ccc(=[NH2+])cc2oc2c1ccc(c2)N
InChI InChI=1S/C21H16N2O3/c1-25-21(24)15-5-3-2-4-14(15)20-16-8-6-12(22)10-18(16)26-19-11-13(23)7-9-17(19)20/h2-11,22H,23H2,1H3/p+1
InChI Key FCGVBHISQBBIQF-UHFFFAOYSA-O
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
[6-amino-9-(2-methoxycarbonylphenyl)xanthen-3-ylidene]azanium
Synonyms Click here for help
rhodamine 123
Database Links Click here for help
CAS Registry No. 104114-27-4 (source: Scifinder)
GtoPdb PubChem SID 178101327
PubChem CID 4541001
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Wikipedia Rhodamine_123