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Chemical ID: 6366630
Chemical ID:
6366630
Name [?]:
2,2-dimethyl-N-(2-thienylmethyl)propanamide
SMILES [?]:
CC(C)(C)C(=O)NCc1cccs1
InChi [?]:
InChI=1/C10H15NOS/c1-10(2,3)9(12)11-7-8-5-4-6-13-8/h4-6H,7H2,1-3H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,8,9,5,2,7,6,13/E:(1,2,3)/rA:13nCCCCCONCCCCCS/rB:s1;s2;s2;s2;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: | 7.95081 |
Area: | 384.017 |
Solvation: | -1.64962 |
Coulombic: | -22.5881 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 197.298 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.23 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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