2-(5-iodo-2-naphthalen-1-yl-1H-indol-3-yl)acetic Acid
Basic information
- CAS
5098-08-8- Standard SMILES
O=C(O)Cc1c(-c2cccc3ccccc23)[nH]c2ccc(I)cc12- InChIKey
KWAAZDZFNUAUEZ-UHFFFAOYSA-N- Molecular formula
- C20H14INO2
- Average molar mass
- 427.2 g/mol
- Monoisotopic mass
- 427.00693
Names & identifiers
- Preferred name
- 2-(5-iodo-2-naphthalen-1-yl-1H-indol-3-yl)acetic Acid
- IUPAC
- 2-(5-iodo-2-naphthalen-1-yl-1H-indol-3-yl)acetic acid
Names & synonyms
5098-08-82-(5-iodo-2-naphthalen-1-yl-1H-indol-3-yl)acetic AcidDTXSID40409553[5-Iodo-2-(naphthalen-1-yl)-1H-indol-3-yl]acetic acid
Database identifiers
- CAS
5098-08-8- PubChem CID
- 5201609
- DTXSID
DTXSID40409553
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 471
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Compound notes
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