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Compound
2-[4-[[(Z)-(5,6-dimethoxy-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]phenyl]acetic acid
HCID
178486535
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Basic information
Standard SMILES
COc1cc2c(cc1OC)/C(=C(/Nc1ccc(CC(=O)O)cc1)c1ccccc1)C(=O)N2
InChIKey
MNICMLBZGMNSKK-VHXPQNKSSA-N
Molecular formula
C25H22N2O5
Average molar mass
430.5 g/mol
Monoisotopic mass
430.15287181
Names & identifiers
IUPAC
2-[4-[[(Z)-(5,6-dimethoxy-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]phenyl]acetic acid
Database identifiers
PubChem CID
22668596
Properties
Computed structural properties
XLogP
3.6
Topological polar surface area
96.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
32
Formal charge
0
Complexity
709
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HRID
1007453
As reactant
uspto-grants-2004_09
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