Chemical ID: 5006823

CC(c1ccc(s1)Br)N2CCNCC2
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

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