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Chemical ID: 6529085
Chemical ID:
6529085
Name [?]:
1-methoxy-4-phenylazo-benzene
SMILES [?]:
COc1ccc(cc1)N=Nc2ccccc2
InChi [?]:
InChI=1/C13H12N2O/c1-16-13-9-7-12(8-10-13)15-14-11-5-3-2-4-6-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,14,13,15,12,16,5,7,4,8,11,6,3,10,9,2/E:(3,4)(5,6)(7,8)(9,10)/rA:16nCOCCCCCCNNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H12N2O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.77557 |
Area: | 379.882 |
Solvation: | -2.72149 |
Coulombic: | -12.6056 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 212.247 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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