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Phenacylazanium

HCID 4658461
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Basic information

Standard SMILES
[NH3+]CC(=O)c1ccccc1
InChIKey
HEQOJEGTZCTHCF-UHFFFAOYSA-O
Molecular formula
C8H10NO+
Average molar mass
136.17 g/mol

Names & identifiers

Preferred name
Phenacylazanium
IUPAC
phenacylazanium

Database identifiers

PubChem CID
4658461

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
44.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Formal charge
1
Complexity
116

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Related reactions

1 records
New reaction record
HRID 209850 reaction equation
HRID 209850As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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