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Chemical ID: 6522449
Chemical ID:
6522449
Name [?]:
(4-bromophenyl)-[2-(hydroxymethyl)-1-piperidyl]-methanone
SMILES [?]:
c1cc(ccc1C(=O)N2CCCCC2CO)Br
InChi [?]:
InChI=1/C13H16BrNO2/c14-11-6-4-10(5-7-11)13(17)15-8-2-1-3-12(15)9-16/h4-7,12,16H,1-3,8-9H2
InChi Info:
AuxInfo=1/0/N:12,11,13,1,5,2,4,10,15,6,3,14,7,17,9,16,8/E:(4,5)(6,7)/rA:17cCCCCCCCONCCCCCCOBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s9s13;s14;s15;s3;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16BrNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.66775 |
Area: | 414.339 |
Solvation: | -2.69073 |
Coulombic: | -34.6039 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 298.176 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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