Chemical ID: 7117088

c1cc(c(cc1[NH3+])Br)N2CCOCC2
Chemical ID:
7117088
Name [?]:
(3-bromo-4-morpholino-phenyl)ammonium
SMILES [?]:
c1cc(c(cc1[NH3+])Br)N2CCOCC2
InChi [?]:
InChI=1/C10H13BrN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2/p+1
InChi Info:
AuxInfo=1/1/N:1,2,10,14,11,13,5,6,4,3,8,7,9,12/E:(3,4)(5,6)/rA:14nCCCCCCN+BrNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14BrN2O+
All Atoms:28
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-33.9841
Area:367.261
Solvation:-43.1656
Coulombic:31.6829
Bond Count [?]
All:15
Single:12
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:258.135
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.81
LogP (Chemaxon):1.98

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue