Chemical ID: 6741002

Cc1cc(n(n1)Cc2ccc(o2)C(=O)[O-])C
Chemical ID:
6741002
Name [?]:
5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylate
SMILES [?]:
Cc1cc(n(n1)Cc2ccc(o2)C(=O)[O-])C
InChi [?]:
InChI=1/C11H12N2O3/c1-7-5-8(2)13(12-7)6-9-3-4-10(16-9)11(14)15/h3-5H,6H2,1-2H3,(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:1,16,9,10,3,7,2,4,8,11,13,6,5,14,15,12/E:(14,15)/rA:16nCCCCNNCCCCCOCOO-C/rB:s1;s2;d3;s4;d2s5;s5;s7;d8;s9;d10;s8s11;s11;d13;s13;s4;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N2O3-
All Atoms:27
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-36.2873
Area:403.419
Solvation:-46.3727
Coulombic:-10.7491
Bond Count [?]
All:17
Single:12
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:219.217
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.53
LogP (Chemaxon):-0.32

Name Annotations

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Descriptor Annotations

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