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Chemical ID: 7244928
Chemical ID:
7244928
Name [?]:
2-chloro-N-ethyl-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCN(Cc1cccs1)C(=O)CCl
InChi [?]:
InChI=1/C9H12ClNOS/c1-2-11(9(12)6-10)7-8-4-3-5-13-8/h3-5H,2,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,12,4,5,10,13,3,11,9/rA:13nCCNCCCCCSCOCCl/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s3;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12ClNOS |
All Atoms: | 25 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44253 |
Area: | 389.014 |
Solvation: | -2.28282 |
Coulombic: | -17.1334 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 217.716 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.28 |
LogP (Chemaxon): | 1.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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