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Chemical ID: 4663626
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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