Chemical ID: 4192397

CCOc1cc(ccc1O)C=C2C(=NN(C2=O)c3ccc(cc3)C(=O)O)C
Chemical ID:
4192397
Name [?]:
4-[4-[(3-ethoxy-4-hydroxy-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]benzoic acid
SMILES [?]:
CCOc1cc(ccc1O)C=C2C(=NN(C2=O)c3ccc(cc3)C(=O)O)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.3692
Area:581.244
Solvation:-5.16191
Coulombic:-67.3189
Bond Count [?]
All:29
Single:19
Double:10
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:366.367
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.31
LogP (Chemaxon):3.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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