Chemical ID: 4119803

CCn1cc(cn1)C(=O)O
Chemical ID:
4119803
Name [?]:
1-ethylpyrazole-4-carboxylic acid
SMILES [?]:
CCn1cc(cn1)C(=O)O
InChi [?]:
InChI=1/C6H8N2O2/c1-2-8-4-5(3-7-8)6(9)10/h3-4H,2H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,5,8,7,3,9,10/E:(9,10)/rA:10nCCNCCCNCOO/rB:s1;s2;s3;d4;s5;s3d6;s5;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8N2O2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.30281
Area:300.89
Solvation:-2.21945
Coulombic:-30.2954
Bond Count [?]
All:10
Single:7
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:140.14
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:0.55
LogP (Chemaxon):0.18

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Descriptor Annotations

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