Chemical ID: 6942733

Cn1c(nnn1)NC(=O)c2ccc(o2)Br
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

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