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Chemical ID: 4969131
Chemical ID:
4969131
Name [?]:
1-methoxy-4-(4-methoxyphenyl)azo-benzene
SMILES [?]:
COc1ccc(cc1)N=Nc2ccc(cc2)OC
InChi [?]:
InChI=1/C14H14N2O2/c1-17-13-7-3-11(4-8-13)15-16-12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,5,7,12,16,4,8,13,15,6,11,3,14,9,10,2,17/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCOCCCCCCNNCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;d11s15;s14;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.36214 |
Area: | 418.13 |
Solvation: | -4.0911 |
Coulombic: | -18.4965 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 242.273 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.97 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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