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Chemical ID: 7511985
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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