Chemical ID: 6513813

c1ccc(c(c1)C=NNC(=O)c2c(non2)N)Br
Chemical ID:
6513813
Name [?]:
4-amino-N-[(2-bromophenyl)methyleneamino]-1,2,5-oxadiazole-3-carboxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)c2c(non2)N)Br
InChi [?]:
InChI=1/C10H8BrN5O2/c11-7-4-2-1-3-6(7)5-13-14-10(17)8-9(12)16-18-15-8/h1-5H,(H2,12,16)(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,12,13,10,18,17,8,9,16,14,11,15/rA:18nCCCCCCCNNCOCCNONNBr/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;d13;s14;d12s15;s13;s4;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8BrN5O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.15108
Area:432.677
Solvation:-2.66584
Coulombic:-40.438
Bond Count [?]
All:19
Single:12
Double:7
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:310.107
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.73
LogP (Chemaxon):2.82

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