4-(n-propyl)amino-3-nitrobenzoic acid

Ligand id: 5801

Name: 4-(n-propyl)amino-3-nitrobenzoic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 92.47
Molecular weight 224.08
XLogP 2.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-nitro-4-propylaminobenzoic acid
Synonyms
compound 5c [PMID: 17931863] [1]
Database Links
CAS Registry No. 68740-31-8
ChEMBL Ligand CHEMBL236011
PubChem CID 11715556
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