Chemical ID: 7092232

CCOc1ccc(cc1)NCc2cccs2
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

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Descriptor Annotations

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