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Chemical ID: 3998433
Chemical ID:
3998433
Name [?]:
4-(chloromethyl)-2-(2-methoxyphenyl)-thiazole
SMILES [?]:
COc1ccccc1c2nc(cs2)CCl
InChi [?]:
InChI=1/C11H10ClNOS/c1-14-10-5-3-2-4-9(10)11-13-8(6-12)7-15-11/h2-5,7H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,7,4,14,12,11,8,3,9,15,10,2,13/rA:15nCOCCCCCCCNCCSCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;d11;s9s12;s11;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10ClNOS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.5405 |
Area: | 408.487 |
Solvation: | -2.67167 |
Coulombic: | -14.2221 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 239.722 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.83 |
LogP (Chemaxon): | 3.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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