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Chemical ID: 7712007
Chemical ID:
7712007
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)OCC(CN2CCOCC2)O)C)C
InChi [?]:
InChI=1/C16H25NO3/c1-12-8-13(2)14(3)16(9-12)20-11-15(18)10-17-4-6-19-7-5-17/h8-9,15,18H,4-7,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,19,13,17,14,16,3,7,11,9,2,4,5,10,6,12,18,15,8/E:(4,5)(6,7)/rA:20cCCCCCCCOCCCNCCOCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s10;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25NO3 |
All Atoms: | 45 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.73343 |
Area: | 495.425 |
Solvation: | -5.6522 |
Coulombic: | -36.6071 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.82 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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