[4-(Chloroacetyl)phenoxy]acetic acid

CovInDB Inhibitor

CI000715

Name

[4-(Chloroacetyl)phenoxy]acetic acid

Molecular Formula

C₁₀H₉ClO₄

Molecular Weight

228.63 g/mol

Structure

  Warhead   Similar Compounds

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SDF 2D SDF 3D

IUPAC Name

2-[4-(2-chloroacetyl)phenoxy]aceticacid

InChI

InChI=1S/C10H9ClO4/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-4H,5-6H2,(H,13,14)

InChI Key

NWSHRVVVVVDAFM-UHFFFAOYSA-N

Canonical SMILES

O=C(O)COc1ccc(C(=O)CCl)cc1

Cocrystal structures

No cocrystal structures found for this inhibitor.

Molecular Weight

228.63 g/mol

Computed by RDKit

logP

1.61

Computed by ALOGPS

logS

-2.73

Computed by ALOGPS

Heavy Atom Count

15

Computed by RDKit

Ring Count

1

Computed by RDKit

Hydrogen Bond Acceptor Count

3

Computed by RDKit

Hydrogen Bond Donor Count

1

Computed by RDKit

Rotatable Bond Count

5

Computed by RDKit

Topological Polar Surface Area

63.6 Ų

Computed by RDKit

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No similar natural compounds found for this inhibitor.