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Chemical ID: 7092232
Chemical ID:
7092232
Name [?]:
4-ethoxy-N-(2-thienylmethyl)aniline
SMILES [?]:
CCOc1ccc(cc1)NCc2cccs2
InChi [?]:
InChI=1/C13H15NOS/c1-2-15-12-7-5-11(6-8-12)14-10-13-4-3-9-16-13/h3-9,14H,2,10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,14,13,6,8,5,9,15,11,7,4,12,10,3,16/E:(5,6)(7,8)/rA:16nCCOCCCCCCNCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s13;d14;s12s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H15NOS |
All Atoms: | 31 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.44299 |
Area: | 436.645 |
Solvation: | -2.47313 |
Coulombic: | -20.7909 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.33 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.78 |
LogP (Chemaxon): | 2.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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