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Chemical ID: 7520184
Chemical ID:
7520184
Name [?]:
1-[4-[3-(2-dimethylaminoethylamino)propoxy]phenyl]propan-1-one
SMILES [?]:
CCC(=O)c1ccc(cc1)OCCCNCCN(C)C
InChi [?]:
InChI=1/C16H26N2O2/c1-4-16(19)14-6-8-15(9-7-14)20-13-5-10-17-11-12-18(2)3/h6-9,17H,4-5,10-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,20,2,13,6,10,7,9,14,16,17,12,5,8,3,15,18,4,11/E:(2,3)(6,7)(8,9)/rA:20nCCCOCCCCCCOCCCNCCNCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;s13;s14;s15;s16;s17;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H26N2O2 |
All Atoms: | 46 |
Heavy Atoms: | 20 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.64202 |
Area: | 540.315 |
Solvation: | -3.86584 |
Coulombic: | -29.2949 |
Bond Count [?]
All: | 20 |
Single: | 16 |
Double: | 4 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.86 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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