Chemical ID: 4978185

CCOc1ccc(cc1Cl)c2csc(n2)C=O
Chemical ID:
4978185
Name [?]:
4-(3-chloro-4-ethoxy-phenyl)thiazole-2-carbaldehyde
SMILES [?]:
CCOc1ccc(cc1Cl)c2csc(n2)C=O
InChi [?]:
InChI=1/C12H10ClNO2S/c1-2-16-11-4-3-8(5-9(11)13)10-7-17-12(6-15)14-10/h3-7H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,5,8,16,12,7,9,11,4,14,10,15,17,3,13/rA:17nCCOCCCCCCClCCSCNCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s12;s13;s11d14;s14;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10ClNO2S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.65121
Area:453.288
Solvation:-3.68098
Coulombic:-21.3839
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:267.732
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.11
LogP (Chemaxon):3.63

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