Chemical ID: 5758741

c1ccc(cc1)Oc2c(non2)N
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

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Descriptor Annotations

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