Chemical ID: 5466706

CC1=NN(C(=O)C1=Cc2ccc(c(c2)OC)OCC#C)c3ccc(cc3)C(=O)O
Chemical ID:
5466706
Name [?]:
4-[4-[(3-methoxy-4-prop-2-ynoxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid
SMILES [?]:
CC1=NN(C(=O)C1=Cc2ccc(c(c2)OC)OCC#C)c3ccc(cc3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H18N2O5
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.05396
Area:625.797
Solvation:-6.59096
Coulombic:-60.1691
Bond Count [?]
All:31
Single:20
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:390.389
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.21
LogP (Chemaxon):3.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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