Chemical ID: 6710949

c1ccc2c(c1)[nH]c([nH+]2)c3c(non3)N
Chemical ID:
6710949
Name [?]:
4-(1,3-dihydrobenzoimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILES [?]:
c1ccc2c(c1)[nH]c([nH+]2)c3c(non3)N
InChi [?]:
InChI=1/C9H7N5O/c10-8-7(13-15-14-8)9-11-5-3-1-2-4-6(5)12-9/h1-4H,(H2,10,14)(H,11,12)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,10,11,8,15,7,9,14,12,13/E:(1,2)(3,4)(5,6)(11,12)/rA:15nCCCCCCNCN+CCNONN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;d11;s12;d10s13;s11;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H8N5O+
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-25.1902
Area:358.137
Solvation:-34.1436
Coulombic:-22.858
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:202.193
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:1.94
LogP (Chemaxon):1.98

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Descriptor Annotations

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