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Chemical ID: 4619258
Chemical ID:
4619258
Name [?]:
1-methyl-1-[2-(1,7,7-trimethylnorbornan-2-yl)oxyethyl]-2,3,4,5-tetrahydropyrrole
SMILES [?]:
CC1(C2CCC1(C(C2)OCC[N+]3(CCCC3)C)C)C
InChi [?]:
InChI=1/C17H32NO/c1-16(2)14-7-8-17(16,3)15(13-14)19-12-11-18(4)9-5-6-10-18/h14-15H,5-13H2,1-4H3/q+1
InChi Info:
AuxInfo=1/0/N:1,19,18,17,14,15,4,5,13,16,11,10,8,3,7,2,6,12,9/E:(1,2)(5,6)(9,10)/CRV:18+1/rA:19cCCCCCCCCOCCN+CCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;s7;s9;s10;s11;s12;s13;s14;s12s15;s12;s6;s2;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H32NO+ |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -15.6222 |
Area: | 443.28 |
Solvation: | -26.7042 |
Coulombic: | 12.0759 |
Bond Count [?]
All: | 21 |
Single: | 21 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 266.442 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.34 |
LogP (Chemaxon): | -1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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