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Chemical ID: 6513813
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
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Experimental Annotations
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Descriptor Annotations
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