Chemical ID: 4414170

c1cc(c(cc1Br)Cl)OCCCCN2CCCC2
Chemical ID:
4414170
Name [?]:
1-[4-(4-bromo-2-chloro-phenoxy)butyl]pyrrolidine
SMILES [?]:
c1cc(c(cc1Br)Cl)OCCCCN2CCCC2
InChi [?]:
InChI=1/C14H19BrClNO/c15-12-5-6-14(13(16)11-12)18-10-4-3-9-17-7-1-2-8-17/h5-6,11H,1-4,7-10H2
InChi Info:
AuxInfo=1/0/N:16,17,12,11,1,2,15,18,13,10,5,6,4,3,7,8,14,9/E:(1,2)(7,8)/rA:18nCCCCCCBrClOCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;s10;s11;s12;s13;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H19BrClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.0141
Area:497.658
Solvation:-2.42735
Coulombic:-13.8374
Bond Count [?]
All:19
Single:16
Double:3
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:332.664
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.43
LogP (Chemaxon):3.91

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