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Chemical ID: 5190448
Chemical ID:
5190448
Name [?]:
5-(chloromethyl)-3-(2-furyl)-1,2,4-oxadiazole
SMILES [?]:
c1cc(oc1)c2nc(on2)CCl
InChi [?]:
InChI=1/C7H5ClN2O2/c8-4-6-9-7(10-12-6)5-2-1-3-11-5/h1-3H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,3,8,6,12,7,10,4,9/rA:12nCCCOCCNCONCCl/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d6s9;s8;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H5ClN2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.1973 |
Area: | 345.007 |
Solvation: | -2.42788 |
Coulombic: | -19.2145 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 184.58 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.32 |
LogP (Chemaxon): | 1.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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