4-[(2-chlorophenyl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid|4-[(2-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylic acid|4-(2-chlorobenzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid

General Information

Structure

Molecular Formula

C₁₄H₁₀ClNO₃

Molecular Mass

275.6871

Exact Mass

275.03492087

Charge

InChI

InChI=1S/C14H10ClNO3/c15-10-4-2-1-3-9(10)8-16-11-5-6-19-13(11)7-12(16)14(17)18/h1-7H,8H2,(H,17,18)

InChIKey

GGTBLLLPNZBYLQ-UHFFFAOYSA-N

Canonic Smiles

Clc1ccccc1Cn1c(cc2c1cco2)C(=O)O

Isomeric Smiles

n1(c(cc2c1cco2)C(=O)O)Cc1c(Cl)cccc1

Calculated Properties

JChem

Acid pKa

3.3507297

H Acceptors

H Donor

LogD (pH = 5.5)

1.2368171

LogD (pH = 7.4)

-0.043420188

Log P

3.3714323

Molar Refractivity

70.9832

Polarizability

27.976315

Polar Surface Area

55.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

4-[(2-chlorophenyl)methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid

IUPAC Traditional name

4-[(2-chlorophenyl)methyl]furo[3,2-b]pyrrole-5-carboxylic acid

Synonyms

4-(2-chlorobenzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid

Names and Identifiers

Registration numbers

PubChem CID

39733796

PubChem SID

162218121

Registration numbers

Properties

No Data Available

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Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:123768