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Chemical ID: 4279669
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
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Experimental Annotations
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Descriptor Annotations
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