Chemical ID: 4112838

COc1cc(cc(c1OCC=C)Br)CNc2n[nH]nn2
Chemical ID:
4112838
Name [?]:
N-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methyl]-2H-tetrazol-5-amine
SMILES [?]:
COc1cc(cc(c1OCC=C)Br)CNc2n[nH]nn2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H14BrN5O2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.10583
Area:498.3
Solvation:-4.35166
Coulombic:-39.409
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.176
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.96
LogP (Chemaxon):2.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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