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Chemical ID: 7527611
Chemical ID:
7527611
Name [?]:
N-(5-bromo-2-pyridyl)-2-morpholino-acetamide
SMILES [?]:
c1cc(ncc1Br)NC(=O)CN2CCOCC2
InChi [?]:
InChI=1/C11H14BrN3O2/c12-9-1-2-10(13-7-9)14-11(16)8-15-3-5-17-6-4-15/h1-2,7H,3-6,8H2,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,13,17,14,16,5,11,6,3,9,7,4,8,12,10,15/E:(3,4)(5,6)/rA:17nCCCNCCBrNCOCNCCOCC/rB:s1;d2;s3;d4;d1s5;s6;s3;s8;d9;s9;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14BrN3O2 |
All Atoms: | 31 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.76376 |
Area: | 428.786 |
Solvation: | -4.95588 |
Coulombic: | -35.8576 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.68 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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