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Chemical ID: 5758741
Chemical ID:
5758741
Name [?]:
4-phenoxy-1,2,5-oxadiazol-3-amine
SMILES [?]:
c1ccc(cc1)Oc2c(non2)N
InChi [?]:
InChI=1/C8H7N3O2/c9-7-8(11-13-10-7)12-6-4-2-1-3-5-6/h1-5H,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,9,8,13,10,12,7,11/E:(2,3)(4,5)/rA:13nCCCCCCOCCNONN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d8s11;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7N3O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.11867 |
Area: | 335.453 |
Solvation: | -1.26765 |
Coulombic: | -32.1681 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 177.16 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 2.42 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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