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Chemical ID: 7712035
Chemical ID:
7712035
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)OCC(CNC(C)C)O)C)C
InChi [?]:
InChI=1/C15H25NO2/c1-10(2)16-8-14(17)9-18-15-7-11(3)6-12(4)13(15)5/h6-7,10,14,16-17H,8-9H2,1-5H3
InChi Info:
AuxInfo=1/0/N:14,15,1,18,17,3,7,11,9,13,2,4,5,10,6,12,16,8/E:(1,2)/rA:18cCCCCCCCOCCCNCCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s13;s10;s5;s4;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H25NO2 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 7.7562 |
Area: | 480.761 |
Solvation: | -4.26284 |
Coulombic: | -32.8171 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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