Chemical ID: 7511985

c1ccc(cc1)N2CCN(CC2)Cc3ccccc3Br
Chemical ID:
7511985
Name [?]:
1-[(2-bromophenyl)methyl]-4-phenyl-piperazine
SMILES [?]:
c1ccc(cc1)N2CCN(CC2)Cc3ccccc3Br
InChi [?]:
InChI=1/C17H19BrN2/c18-17-9-5-4-6-15(17)14-19-10-12-20(13-11-19)16-7-2-1-3-8-16/h1-9H,10-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,16,17,15,3,5,18,9,11,8,12,13,14,4,19,20,10,7/E:(2,3)(7,8)(10,11)(12,13)/rA:20nCCCCCCNCCNCCCCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;s13;s14;d15;s16;d17;d14s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19BrN2
All Atoms:39
Heavy Atoms:20
Chiral Atoms:None
ZAP Information [?]
Total:9.86025
Area:471.697
Solvation:-1.93217
Coulombic:-14.0586
Bond Count [?]
All:22
Single:16
Double:6
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.38
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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