Chemical ID: 3998359

c1cc(ccc1c2nc(cs2)CCl)F
Chemical ID:
3998359
Name [?]:
4-(chloromethyl)-2-(4-fluorophenyl)-thiazole
SMILES [?]:
c1cc(ccc1c2nc(cs2)CCl)F
InChi [?]:
InChI=1/C10H7ClFNS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,10,6,3,9,7,13,14,8,11/E:(1,2)(3,4)/rA:14nCCCCCCCNCCSCClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s8;d9;s7s10;s9;s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H7ClFNS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.5396
Area:388.671
Solvation:-2.17718
Coulombic:-10.7867
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:227.686
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.08
LogP (Chemaxon):3.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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