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Chemical ID: 6365986
Chemical ID:
6365986
Name [?]:
3-methyl-N-(2-thienylmethyl)butanamide
SMILES [?]:
CC(C)CC(=O)NCc1cccs1
InChi [?]:
InChI=1/C10H15NOS/c1-8(2)6-10(12)11-7-9-4-3-5-13-9/h3-5,8H,6-7H2,1-2H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,11,10,12,4,8,2,9,5,7,6,13/E:(1,2)/rA:13nCCCCCONCCCCCS/rB:s1;s2;s2;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15NOS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.02423 |
Area: | 390.839 |
Solvation: | -1.74676 |
Coulombic: | -22.0085 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.298 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.81 |
LogP (Chemaxon): | 1.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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