Chemical ID: 6198966

c1cc(oc1C(=O)n2cnnc2N)Br
Chemical ID:
6198966
Name [?]:
(3-amino-1,2,4-triazol-4-yl)-(5-bromo-2-furyl)-methanone
SMILES [?]:
c1cc(oc1C(=O)n2cnnc2N)Br
InChi [?]:
InChI=1/C7H5BrN4O2/c8-5-2-1-4(14-5)6(13)12-3-10-11-7(12)9/h1-3H,(H2,9,11)
InChi Info:
AuxInfo=1/1/N:1,2,9,5,3,6,12,14,13,10,11,8,7,4/rA:14nCCCOCCONCNNCNBr/rB:s1;d2;s3;d1s4;s5;d6;s6;s8;d9;s10;s8d11;s12;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5BrN4O2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.07645
Area:359.627
Solvation:-1.91421
Coulombic:-46.1562
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:257.044
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.75
LogP (Chemaxon):-0.15

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Descriptor Annotations

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