Chemical ID: 6762009

Cc1cc(ccc1Cl)OCn2ccc(n2)C(=O)[O-]
Chemical ID:
6762009
Name [?]:
1-[(4-chloro-3-methyl-phenoxy)methyl]pyrazole-3-carboxylate
SMILES [?]:
Cc1cc(ccc1Cl)OCn2ccc(n2)C(=O)[O-]
InChi [?]:
InChI=1/C12H11ClN2O3/c1-8-6-9(2-3-10(8)13)18-7-15-5-4-11(14-15)12(16)17/h2-6H,7H2,1H3,(H,16,17)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,6,13,12,3,10,2,4,7,14,16,8,15,11,17,18,9/E:(16,17)/rA:18nCCCCCCCClOCNCCCNCOO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;s11;d12;s13;s11d14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClN2O3-
All Atoms:28
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-33.7812
Area:453.15
Solvation:-45.11
Coulombic:-14.6079
Bond Count [?]
All:19
Single:13
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:265.672
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.36
LogP (Chemaxon):3.2

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue