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Chemical ID: 6487970
Chemical ID:
6487970
Name [?]:
(8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl) 3-(2,3,4,5-tetrahydropyrrol-1-yl)propanoate
SMILES [?]:
C[NH+]1C2CCC1CC(C2)OC(=O)CC[NH+]3CCCC3
InChi [?]:
InChI=1/C15H26N2O2/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17/h12-14H,2-11H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,17,18,4,5,13,16,19,14,9,7,3,6,8,11,2,15,12,10/E:(2,3)(4,5)(7,8)(10,11)(12,13)/rA:19cCN+CCCCCCCOCOCCN+CCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H28N2O2+2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | -68.4263 |
Area: | 470.509 |
Solvation: | -80.189 |
Coulombic: | 63.0099 |
Bond Count [?]
All: | 21 |
Single: | 20 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 268.395 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.41 |
LogP (Chemaxon): | 0.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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