Chemical ID: 3998433

COc1ccccc1c2nc(cs2)CCl
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

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Descriptor Annotations

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