Chemical ID: 6520792

CC(c1cc2c(n1C=C)CCCC2)n3ccc4c3CCCC4
Chemical ID:
6520792
Name [?]:
2-[1-(4,5,6,7-tetrahydroindol-1-yl)ethyl]-1-vinyl-4,5,6,7-tetrahydroindole
SMILES [?]:
CC(c1cc2c(n1C=C)CCCC2)n3ccc4c3CCCC4
InChi [?]:
InChI=1/C20H26N2/c1-3-21-19-11-7-5-9-17(19)14-20(21)15(2)22-13-12-16-8-4-6-10-18(16)22/h3,12-15H,1,4-11H2,2H3
InChi Info:
AuxInfo=1/0/N:9,1,8,21,12,20,11,22,13,19,10,16,15,4,2,17,5,18,6,3,7,14/rA:22cCCCCCCNCCCCCCNCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s7;d8;s6;s10;s11;s5s12;s2;s14;d15;s16;s14d17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.2886
Area:482.077
Solvation:-1.76332
Coulombic:-11.6975
Bond Count [?]
All:25
Single:20
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.434
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.44
LogP (Chemaxon):4.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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