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Chemical ID: 7712015
Chemical ID:
7712015
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)OCC(CN2CCCCC2C)O)C)C
InChi [?]:
InChI=1/C18H29NO2/c1-13-9-14(2)16(4)18(10-13)21-12-17(20)11-19-8-6-5-7-15(19)3/h9-10,15,17,20H,5-8,11-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,21,18,20,15,14,16,13,3,7,11,9,2,4,17,5,10,6,12,19,8/rA:21cCCCCCCCOCCCNCCCCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;s15;s12s16;s17;s10;s5;s4;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29NO2 |
All Atoms: | 50 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.48707 |
Area: | 512.623 |
Solvation: | -4.32849 |
Coulombic: | -29.1897 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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