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Chemical ID: 6683620
Chemical ID:
6683620
Name [?]:
N,N-dimethyl-4-(2-pyridylazo)aniline
SMILES [?]:
CN(C)c1ccc(cc1)N=Nc2ccccn2
InChi [?]:
InChI=1/C13H14N4/c1-17(2)12-8-6-11(7-9-12)15-16-13-5-3-4-10-14-13/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,15,13,6,8,5,9,16,7,4,12,17,10,11,2/E:(1,2)(6,7)(8,9)/rA:17nCNCCCCCCCNNCCCCCN/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14N4 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.63123 |
Area: | 400.651 |
Solvation: | -2.38505 |
Coulombic: | -16.2539 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 226.277 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.82 |
LogP (Chemaxon): | 4.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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