Chemical ID: 3987062

CCCc1c(c(nn1c2ccc(cc2)Cl)c3cccc(c3)N(=O)=O)C(=O)O
Chemical ID:
3987062
Name [?]:
1-(4-chlorophenyl)-3-(3-nitrophenyl)-5-propyl-pyrazole-4-carboxylic acid
SMILES [?]:
CCCc1c(c(nn1c2ccc(cc2)Cl)c3cccc(c3)N(=O)=O)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H16ClN3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.05567
Area:599.674
Solvation:-7.93617
Coulombic:-45.3173
Bond Count [?]
All:29
Single:18
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:385.801
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.13
LogP (Chemaxon):4.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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