Chemical ID: 4279669

c1cc(ccc1C(=O)N2CCOCC2)Br
Chemical ID:
4279669
Name [?]:
(4-bromophenyl)-morpholino-methanone
SMILES [?]:
c1cc(ccc1C(=O)N2CCOCC2)Br
InChi [?]:
InChI=1/C11H12BrNO2/c12-10-3-1-9(2-4-10)11(14)13-5-7-15-8-6-13/h1-4H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,5,2,4,10,14,11,13,6,3,7,15,9,8,12/E:(1,2)(3,4)(5,6)(7,8)/rA:15nCCCCCCCONCCOCCBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12BrNO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.67355
Area:383.785
Solvation:-2.92107
Coulombic:-26.0819
Bond Count [?]
All:16
Single:12
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:270.123
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.97
LogP (Chemaxon):1.64

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