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Chemical ID: 7243896
Chemical ID:
7243896
Name [?]:
2-chloro-N-[1-(2-thienyl)ethyl]acetamide
SMILES [?]:
CC(c1cccs1)NC(=O)CCl
InChi [?]:
InChI=1/C8H10ClNOS/c1-6(10-8(11)5-9)7-3-2-4-12-7/h2-4,6H,5H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,11,2,3,9,12,8,10,7/rA:12cCCCCCCSNCOCCl/rB:s1;s2;d3;s4;d5;s3s6;s2;s8;d9;s9;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10ClNOS |
All Atoms: | 22 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.10306 |
Area: | 374.767 |
Solvation: | -2.26611 |
Coulombic: | -21.6162 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 203.69 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.25 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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