Chemical ID: 5069354

CC1CC(NC1)c2ccccc2Br
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

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Descriptor Annotations

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