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7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

HCID 66639679
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)c1ccc2cc3n(c2c1)CC=Cc1ccccc1-3
InChIKey
FRUWAONHRDGSAL-UHFFFAOYSA-N
Molecular formula
C18H13NO2
Average molar mass
275.3 g/mol

Names & identifiers

Preferred name
7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid
IUPAC
7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Names & synonyms

SCHEMBL270972FRUWAONHRDGSAL-UHFFFAOYSA-N7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Database identifiers

PubChem CID
66639679

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
42.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Formal charge
0
Complexity
446

Related reactions

34 records
New reaction record
HRID 272548 reaction equation
HRID 272548As reactantuspto-grants-2008_11
HRID 272550 reaction equation
HRID 272550As reactantuspto-grants-2008_11
HRID 272551 reaction equation
HRID 272551As reactantuspto-grants-2008_11
HRID 272552 reaction equation
HRID 272552As reactantuspto-grants-2008_11
HRID 676314 reaction equation
HRID 676314As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 678412 reaction equation
HRID 678412As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 697831 reaction equation
HRID 697831As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 941934 reaction equation
HRID 941934As productValidation data from https://doi.org/10.1039/C8SC04228D
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Compound notes

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