Chemical ID: 7245016

COc1cn(nc1C(=O)O)c2ccccc2
Chemical ID:
7245016
Name [?]:
4-methoxy-1-phenyl-pyrazole-3-carboxylic acid
SMILES [?]:
COc1cn(nc1C(=O)O)c2ccccc2
InChi [?]:
InChI=1/C11H10N2O3/c1-16-9-7-13(12-10(9)11(14)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,4,11,3,7,8,6,5,9,10,2/E:(3,4)(5,6)(14,15)/rA:16nCOCCNNCCOOCCCCCC/rB:s1;s2;d3;s4;s5;s3d6;s7;d8;s8;s5;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N2O3
All Atoms:26
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.15763
Area:394.361
Solvation:-3.70139
Coulombic:-41.1616
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:218.209
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.94
LogP (Chemaxon):1.66

Name Annotations

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Descriptor Annotations

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