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Chemical ID: 3968082
Chemical ID:
3968082
Name [?]:
3-phenylazopyridine-2,6-diamine
SMILES [?]:
c1ccc(cc1)N=Nc2ccc(nc2N)N
InChi [?]:
InChI=1/C11H11N5/c12-10-7-6-9(11(13)14-10)16-15-8-4-2-1-3-5-8/h1-7H,(H4,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,10,11,4,9,12,14,16,15,13,7,8/E:(2,3)(4,5)/rA:16nCCCCCCNNCCCCNCNN/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H11N5 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41247 |
Area: | 374.448 |
Solvation: | -1.94873 |
Coulombic: | -43.3738 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.239 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.71 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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