Chemical ID: 4731431

CSc1nnc(o1)Cn2cnc(c2Cl)Cl
Chemical ID:
4731431
Name [?]:
2-[(4,5-dichloroimidazol-1-yl)methyl]-5-methylsulfanyl-1,3,4-oxadiazole
SMILES [?]:
CSc1nnc(o1)Cn2cnc(c2Cl)Cl
InChi [?]:
InChI=1/C7H6Cl2N4OS/c1-15-7-12-11-4(14-7)2-13-3-10-5(8)6(13)9/h3H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,10,6,12,13,3,15,14,11,5,4,9,7,2/rA:15nCSCNNCOCNCNCCClCl/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;s9;d10;s11;s9d12;s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6Cl2N4OS
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.88118
Area:422.198
Solvation:-1.67378
Coulombic:-27.8585
Bond Count [?]
All:16
Single:12
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:265.12
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.23
LogP (Chemaxon):1.19

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Descriptor Annotations

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