Chemical ID: 5434683

CCCc1c(nc(s1)C)c2ccc(c(c2)Cl)Cl
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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