Chemical ID: 6718726

CCn1c2ccccc2[nH+]c1c3c(non3)N
Chemical ID:
6718726
Name [?]:
4-(1-ethyl-3H-benzoimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILES [?]:
CCn1c2ccccc2[nH+]c1c3c(non3)N
InChi [?]:
InChI=1/C11H11N5O/c1-2-16-8-6-4-3-5-7(8)13-11(16)9-10(12)15-17-14-9/h3-6H,2H2,1H3,(H2,12,15)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,9,4,12,13,11,17,10,16,14,3,15/rA:17nCCNCCCCCCN+CCCNONN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3d10;s11;s12;d13;s14;d12s15;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N5O+
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:-23.4454
Area:396.527
Solvation:-33.3586
Coulombic:-20.7042
Bond Count [?]
All:19
Single:13
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:230.246
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.66
LogP (Chemaxon):2.57

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue