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Chemical ID: 7679363
Chemical ID:
7679363
Name [?]:
None
SMILES [?]:
CC1CCN(CC1)CC(Cn2cc(c3c2cccc3)CO)O
InChi [?]:
InChI=1/C18H26N2O2/c1-14-6-8-19(9-7-14)11-16(22)12-20-10-15(13-21)17-4-2-3-5-18(17)20/h2-5,10,14,16,21-22H,6-9,11-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,16,3,7,4,6,12,8,10,20,2,13,9,14,15,5,11,21,22/E:(6,7)(8,9)/rA:22cCCCCNCCCCCNCCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s10;s11;d12;s13;s11s14;d15;s16;d17;d14s18;s13;s20;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26N2O2 |
All Atoms: | 48 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.28058 |
Area: | 515.288 |
Solvation: | -4.60161 |
Coulombic: | -44.4307 |
Bond Count [?]
All: | 24 |
Single: | 20 |
Double: | 4 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.14 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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