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Compound
4-(2,3-Dihydropyrrolo[3,2-c]cinnolin-1-yl)-3-methylphenol
HCID
20072756
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Basic information
Names & identifiers
Properties
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Basic information
Standard SMILES
Cc1cc(O)ccc1N1CCc2nnc3ccccc3c21
InChIKey
JFWLNTOATLYNMV-UHFFFAOYSA-N
Molecular formula
C17H15N3O
Average molar mass
277.32 g/mol
Names & identifiers
Preferred name
4-(2,3-Dihydropyrrolo[3,2-c]cinnolin-1-yl)-3-methylphenol
IUPAC
4-(2,3-dihydropyrrolo[3,2-c]cinnolin-1-yl)-3-methylphenol
Database identifiers
PubChem CID
20072756
Properties
Computed structural properties
XLogP
2.9
Topological polar surface area
49.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Formal charge
0
Complexity
377
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HRID
113900
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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