Chemical ID: 5315632

C#CCSc1nnc(o1)c2ccccc2Cl
Chemical ID:
5315632
Name [?]:
2-(2-chlorophenyl)-5-prop-2-ynylsulfanyl-1,3,4-oxadiazole
SMILES [?]:
C#CCSc1nnc(o1)c2ccccc2Cl
InChi [?]:
InChI=1/C11H7ClN2OS/c1-2-7-16-11-14-13-10(15-11)8-5-3-4-6-9(8)12/h1,3-6H,7H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,11,14,3,10,15,8,5,16,7,6,9,4/rA:16nCCCSCNNCOCCCCCCCl/rB:t1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7ClN2OS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:9.46704
Area:433.078
Solvation:-1.35991
Coulombic:-19.3337
Bond Count [?]
All:17
Single:11
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:250.705
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.27
LogP (Chemaxon):3.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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