Chemical ID: 7196277

Cc1cc(cc(c1)OCn2ccc(n2)C(=O)[O-])C
Chemical ID:
7196277
Name [?]:
1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylate
SMILES [?]:
Cc1cc(cc(c1)OCn2ccc(n2)C(=O)[O-])C
InChi [?]:
InChI=1/C13H14N2O3/c1-9-5-10(2)7-11(6-9)18-8-15-4-3-12(14-15)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,18,12,11,3,7,5,9,2,4,6,13,15,14,10,16,17,8/E:(1,2)(6,7)(9,10)(16,17)/rA:18nCCCCCCCOCNCCCNCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;d11;s12;s10d13;s13;d15;s15;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H13N2O3-
All Atoms:31
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-34.1961
Area:443.673
Solvation:-45.2879
Coulombic:-14.0766
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:245.254
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.39
LogP (Chemaxon):3.15

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Descriptor Annotations

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