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Chemical ID: 5069354
Chemical ID:
5069354
Name [?]:
2-(2-bromophenyl)-4-methyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2ccccc2Br
InChi [?]:
InChI=1/C11H14BrN/c1-8-6-11(13-7-8)9-4-2-3-5-10(9)12/h2-5,8,11,13H,6-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,10,8,11,3,6,2,7,12,4,13,5/rA:13cCCCCNCCCCCCCBr/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14BrN |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.21245 |
Area: | 356.618 |
Solvation: | -0.702999 |
Coulombic: | -11.1262 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 240.14 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.24 |
LogP (Chemaxon): | 3.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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