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Chemical ID: 3998359
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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