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Chemical ID: 5006823
Chemical ID:
5006823
Name [?]:
1-[1-(5-bromo-2-thienyl)ethyl]piperazine
SMILES [?]:
CC(c1ccc(s1)Br)N2CCNCC2
InChi [?]:
InChI=1/C10H15BrN2S/c1-8(9-2-3-10(11)14-9)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,11,13,10,14,2,3,6,8,12,9,7/E:(4,5)(6,7)/rA:14cCCCCCCSBrNCCNCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s2;s9;s10;s11;s12;s9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H15BrN2S |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.38902 |
Area: | 391.41 |
Solvation: | -1.39624 |
Coulombic: | -14.6685 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 275.21 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.19 |
LogP (Chemaxon): | 1.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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