Chemical ID: 4428062

c1cc(cc(c1)Cl)c2c(cn(n2)CCC(=O)O)C=O
Chemical ID:
4428062
Name [?]:
3-[3-(3-chlorophenyl)-4-formyl-pyrazol-1-yl]propanoic acid
SMILES [?]:
c1cc(cc(c1)Cl)c2c(cn(n2)CCC(=O)O)C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H11ClN2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.24508
Area:480.187
Solvation:-3.7596
Coulombic:-37.5665
Bond Count [?]
All:20
Single:13
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:278.691
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.23
LogP (Chemaxon):2.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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