Chemical ID: 4706917

c1ccc(cc1)Oc2cnns2
Chemical ID:
4706917
Name [?]:
5-phenoxythiadiazole
SMILES [?]:
c1ccc(cc1)Oc2cnns2
InChi [?]:
InChI=1/C8H6N2OS/c1-2-4-7(5-3-1)11-8-6-9-10-12-8/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,9,4,8,10,11,7,12/E:(2,3)(4,5)/rA:12nCCCCCCOCCNNS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6N2OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.49349
Area:323.063
Solvation:-1.58308
Coulombic:-11.4166
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:178.212
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.96
LogP (Chemaxon):1.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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