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Chemical ID: 7699048
Chemical ID:
7699048
Name [?]:
None
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)NCc2ccccn2)C(C)C
InChi [?]:
InChI=1/C18H22N2O2/c1-13(2)16-8-7-14(3)10-17(16)22-12-18(21)20-11-15-6-4-5-9-19-15/h4-10,13H,11-12H2,1-3H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:21,22,1,16,17,15,3,4,18,7,13,9,20,2,14,5,6,10,19,12,11,8/E:(1,2)/rA:22nCCCCCCCOCCONCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s5;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H22N2O2 |
All Atoms: | 44 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.1255 |
Area: | 537.63 |
Solvation: | -4.31525 |
Coulombic: | -34.4031 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.29 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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