Chemical ID: 4663626

c1c2c(nc3c1CCC3)CCC2
Chemical ID:
4663626
Name [?]:
None
SMILES [?]:
c1c2c(nc3c1CCC3)CCC2
InChi [?]:
InChI=1/C11H13N/c1-3-8-7-9-4-2-6-11(9)12-10(8)5-1/h7H,1-6H2
InChi Info:
AuxInfo=1/0/N:8,11,7,12,9,10,1,6,2,5,3,4/E:(1,2)(3,4)(5,6)(8,9)(10,11)/rA:12nCCCNCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s3;s10;s2s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.77748
Area:315.276
Solvation:-1.10442
Coulombic:-4.76406
Bond Count [?]
All:14
Single:11
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:159.228
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.47
LogP (Chemaxon):2.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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