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Chemical ID: 7101514
Chemical ID:
7101514
Name [?]:
3-ethoxy-N-(2-thienylmethyl)propan-1-amine
SMILES [?]:
CCOCCCNCc1cccs1
InChi [?]:
InChI=1/C10H17NOS/c1-2-12-7-4-6-11-9-10-5-3-8-13-10/h3,5,8,11H,2,4,6-7,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,11,5,10,6,4,12,8,9,7,3,13/rA:13nCCOCCCNCCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H17NOS |
All Atoms: | 30 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.67105 |
Area: | 414.69 |
Solvation: | -2.69619 |
Coulombic: | -17.6775 |
Bond Count [?]
All: | 13 |
Single: | 11 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 199.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.19 |
LogP (Chemaxon): | 1.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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