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Chemical ID: 6117630
Chemical ID:
6117630
Name [?]:
4-(2-methoxyphenyl)azo-1,3,5-trimethyl-pyrazole
SMILES [?]:
Cc1c(c(n(n1)C)C)N=Nc2ccccc2OC
InChi [?]:
InChI=1/C13H16N4O/c1-9-13(10(2)17(3)16-9)15-14-11-7-5-6-8-12(11)18-4/h5-8H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,7,18,13,14,12,15,2,4,11,16,3,10,9,6,5,17/rA:18nCCCCNNCCNNCCCCCCOC/rB:s1;s2;d3;s4;d2s5;s5;s4;s3;w9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N4O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74055 |
Area: | 411.616 |
Solvation: | -3.54984 |
Coulombic: | -15.7819 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 244.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.33 |
LogP (Chemaxon): | 2.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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