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Chemical ID: 4490953
Chemical ID:
4490953
Name [?]:
1-(4-ethoxyphenyl)-N-(2-thienylmethyl)methanamine
SMILES [?]:
CCOc1ccc(cc1)CNCc2cccs2
InChi [?]:
InChI=1/C14H17NOS/c1-2-16-13-7-5-12(6-8-13)10-15-11-14-4-3-9-17-14/h3-9,15H,2,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,6,8,5,9,16,10,12,7,4,13,11,3,17/E:(5,6)(7,8)/rA:17nCCOCCCCCCCNCCCCCS/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H17NOS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.88377 |
Area: | 464.199 |
Solvation: | -2.7212 |
Coulombic: | -18.2545 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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