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Chemical ID: 6942733
Chemical ID:
6942733
Name [?]:
5-bromo-N-(1-methyltetrazol-5-yl)-furan-2-carboxamide
SMILES [?]:
Cn1c(nnn1)NC(=O)c2ccc(o2)Br
InChi [?]:
InChI=1/C7H6BrN5O2/c1-13-7(10-11-12-13)9-6(14)4-2-3-5(8)15-4/h2-3H,1H3,(H,9,10,12,14)
InChi Info:
AuxInfo=1/1/N:1,11,12,10,13,8,3,15,7,4,5,6,2,9,14/rA:15nCNCNNNNCOCCCCOBr/rB:s1;s2;d3;s4;s2d5;s3;s7;d8;s8;d10;s11;d12;s10s13;s13;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6BrN5O2 |
All Atoms: | 21 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.16884 |
Area: | 388.205 |
Solvation: | -2.53628 |
Coulombic: | -35.2202 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 272.059 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.01 |
LogP (Chemaxon): | -0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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