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Chemical ID: 5009506
Chemical ID:
5009506
Name [?]:
2-[(4-bromophenyl)methyl]pyrrolidine
SMILES [?]:
c1cc(ccc1CC2CCCN2)Br
InChi [?]:
InChI=1/C11H14BrN/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11,13H,1-2,7-8H2
InChi Info:
AuxInfo=1/0/N:10,9,1,5,2,4,11,7,6,3,8,13,12/E:(3,4)(5,6)/rA:13cCCCCCCCCCCCNBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s8s11;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14BrN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.27992 |
Area: | 365.541 |
Solvation: | -0.858609 |
Coulombic: | -10.4923 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.14 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.03 |
LogP (Chemaxon): | 3.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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