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Chemical ID: 7712011
Chemical ID:
7712011
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)OCC(CN2C(CCCC2C)C)O)C)C
InChi [?]:
InChI=1/C19H31NO2/c1-13-9-14(2)17(5)19(10-13)22-12-18(21)11-20-15(3)7-6-8-16(20)4/h9-10,15-16,18,21H,6-8,11-12H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,22,18,19,21,15,16,14,3,7,11,9,2,4,17,13,5,10,6,12,20,8/E:(3,4)(7,8)(15,16)/rA:22cCCCCCCCOCCCNCCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s17;s13;s10;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H31NO2 |
All Atoms: | 53 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.83303 |
Area: | 525.93 |
Solvation: | -4.31521 |
Coulombic: | -29.3584 |
Bond Count [?]
All: | 23 |
Single: | 20 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.0 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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