Chemical ID: 5009506

c1cc(ccc1CC2CCCN2)Br
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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Descriptor Annotations

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