Chemical ID: 4197441

COc1ccc(cc1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)Cl
Chemical ID:
4197441
Name [?]:
4-(4-chlorobenzoyl)-3-hydroxy-5-(4-methoxyphenyl)-1,5-dihydropyrrol-2-one
SMILES [?]:
COc1ccc(cc1)C2C(=C(C(=O)N2)O)C(=O)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H14ClNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.28363
Area:538.568
Solvation:-5.18058
Coulombic:-55.0215
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.761
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.59
LogP (Chemaxon):2.24

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue