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Chemical ID: 7196066
Chemical ID:
7196066
Name [?]:
4-[(3,4-diethoxyphenyl)methoxy]aniline
SMILES [?]:
CCOc1ccc(cc1OCC)COc2ccc(cc2)N
InChi [?]:
InChI=1/C17H21NO3/c1-3-19-16-10-5-13(11-17(16)20-4-2)12-21-15-8-6-14(18)7-9-15/h5-11H,3-4,12,18H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,2,11,6,17,19,16,20,5,8,13,7,18,15,4,9,21,3,10,14/E:(6,7)(8,9)/rA:21nCCOCCCCCCOCCCOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21NO3 |
All Atoms: | 42 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.25719 |
Area: | 516.576 |
Solvation: | -5.65721 |
Coulombic: | -39.0247 |
Bond Count [?]
All: | 22 |
Single: | 16 |
Double: | 6 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.354 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.24 |
LogP (Chemaxon): | 2.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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