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Chemical ID: 6637511
Chemical ID:
6637511
Name [?]:
4-(4-ethoxyphenyl)azobenzene-1,3-diamine
SMILES [?]:
CCOc1ccc(cc1)N=Nc2ccc(cc2N)N
InChi [?]:
InChI=1/C14H16N4O/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16/h3-9H,2,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,6,8,5,9,13,16,15,7,4,17,12,19,18,10,11,3/E:(4,5)(6,7)/rA:19nCCOCCCCCCNNCCCCCCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;w10;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H16N4O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.95044 |
Area: | 439.403 |
Solvation: | -3.03463 |
Coulombic: | -44.3574 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 256.303 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 2.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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