Chemical ID: 5069357

CC1CC(NC1)c2cccc(c2)Br
Chemical ID:
5069357
Name [?]:
2-(3-bromophenyl)-4-methyl-pyrrolidine
SMILES [?]:
CC1CC(NC1)c2cccc(c2)Br
InChi [?]:
InChI=1/C11H14BrN/c1-8-5-11(13-7-8)9-3-2-4-10(12)6-9/h2-4,6,8,11,13H,5,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,8,10,3,12,6,2,7,11,4,13,5/rA:13cCCCCNCCCCCCCBr/rB:s1;s2;s3;s4;s2s5;s4;s7;d8;s9;d10;d7s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14BrN
All Atoms:13
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:8.32281
Area:365.259
Solvation:-0.808655
Coulombic:-10.8787
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

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Descriptor Annotations

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