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Chemical ID: 5434683
Chemical ID:
5434683
Name [?]:
4-(3,4-dichlorophenyl)-2-methyl-5-propyl-thiazole
SMILES [?]:
CCCc1c(nc(s1)C)c2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C13H13Cl2NS/c1-3-4-12-13(16-8(2)17-12)9-5-6-10(14)11(15)7-9/h5-7H,3-4H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,3,11,12,15,7,10,13,14,4,5,17,16,6,8/rA:17nCCCCCNCSCCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s5;s10;d11;s12;d13;d10s14;s14;s13;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13Cl2NS |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6928 |
Area: | 468.406 |
Solvation: | -1.01731 |
Coulombic: | -8.08052 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.22 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.63 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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