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Chemical ID: 7644170
Chemical ID:
7644170
Name [?]:
None
SMILES [?]:
CCC1CN2CCc3cc(c(cc3C2CC1CCO)OC)O
InChi [?]:
InChI=1/C18H27NO3/c1-3-12-11-19-6-4-14-9-17(21)18(22-2)10-15(14)16(19)8-13(12)5-7-20/h9-10,12-13,16,20-21H,3-8,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,7,17,6,18,15,9,12,4,3,16,8,13,14,10,11,5,19,22,20/rA:22cCCCCNCCCCCCCCCCCCCOOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s5s13;s14;s3s15;s16;s17;s18;s11;s20;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H27NO3 |
All Atoms: | 49 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.35495 |
Area: | 496.78 |
Solvation: | -5.06455 |
Coulombic: | -45.2846 |
Bond Count [?]
All: | 24 |
Single: | 21 |
Double: | 3 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.48 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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