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Chemical ID: 7655406
Chemical ID:
7655406
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)N1CCN(CC1)Cc2ccc(cc2)C(=O)OC
InChi [?]:
InChI=1/C18H26N2O4/c1-18(2,3)24-17(22)20-11-9-19(10-12-20)13-14-5-7-15(8-6-14)16(21)23-4/h5-8H,9-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,24,16,20,17,19,10,12,9,13,14,15,18,21,6,2,11,8,22,7,23,5/E:(1,2,3)(5,6)(7,8)(9,10)(11,12)/rA:24nCCCCOCONCCNCCCCCCCCCCOOC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s8s12;s11;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O4 |
All Atoms: | 50 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.0385 |
Area: | 559.719 |
Solvation: | -2.95444 |
Coulombic: | -54.9664 |
Bond Count [?]
All: | 25 |
Single: | 20 |
Double: | 5 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.61 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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