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Chemical ID: 4567252
Chemical ID:
4567252
Name [?]:
None
SMILES [?]:
CC1C23CCC[N+]4(C2C5(C1(C(C3)C(=O)OC)Nc6c5cccc6)CC4)C
InChi [?]:
InChI=1/C22H29N2O2/c1-14-20-9-6-11-24(2)12-10-21(19(20)24)15-7-4-5-8-17(15)23-22(14,21)16(13-20)18(25)26-3/h4-5,7-8,14,16,19,23H,6,9-13H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,26,16,21,22,5,20,23,4,24,6,25,12,2,19,11,18,13,8,3,9,10,17,7,14,15/CRV:24+1/rA:26cCCCCCCN+CCCCCCOOCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;s2s9;s10;s3s11;s11;d13;s13;s15;s10;s17;s9s18;d19;s20;d21;d18s22;s9;s7s24;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H29N2O2+ |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 7 |
ZAP Information [?]
Total: | 21.7122 |
Area: | 0.0 |
Solvation: | 21.7122 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 31 |
Single: | 27 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 353.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 0.99 |
LogP (Chemaxon): | -2.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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