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Chemical ID: 6589486
Chemical ID:
6589486
Name [?]:
4-(2-methoxyphenyl)azo-2-methyl-aniline
SMILES [?]:
Cc1cc(ccc1N)N=Nc2ccccc2OC
InChi [?]:
InChI=1/C14H15N3O/c1-10-9-11(7-8-12(10)15)16-17-13-5-3-4-6-14(13)18-2/h3-9H,15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,18,13,14,12,15,5,6,3,2,4,7,11,16,8,9,10,17/rA:18nCCCCCCCNNNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;w9;s10;s11;d12;s13;d14;d11s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15N3O |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.74877 |
Area: | 407.053 |
Solvation: | -3.42754 |
Coulombic: | -28.2865 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.289 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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