Chemical ID: 3987163

CCCc1c(c(nn1c2ccc(cc2)OC)c3ccc(c(c3)O)N(=O)=O)C(=O)O
Chemical ID:
3987163
Name [?]:
3-(3-hydroxy-4-nitro-phenyl)-1-(4-methoxyphenyl)-5-propyl-pyrazole-4-carboxylic acid
SMILES [?]:
CCCc1c(c(nn1c2ccc(cc2)OC)c3ccc(c(c3)O)N(=O)=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19N3O6
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:4.30012
Area:612.047
Solvation:-11.001
Coulombic:-65.7611
Bond Count [?]
All:31
Single:20
Double:11
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:397.381
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:4.66
LogP (Chemaxon):3.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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