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Chemical ID: 7521327
Chemical ID:
7521327
Name [?]:
1-[2-(3-azepan-1-yl-2-hydroxy-propoxy)phenyl]ethanone
SMILES [?]:
CC(=O)c1ccccc1OCC(CN2CCCCCC2)O
InChi [?]:
InChI=1/C17H25NO3/c1-14(19)16-8-4-5-9-17(16)21-13-15(20)12-18-10-6-2-3-7-11-18/h4-5,8-9,15,20H,2-3,6-7,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,6,7,16,19,5,8,15,20,13,11,2,12,4,9,14,3,21,10/E:(2,3)(6,7)(10,11)/rA:21cCCOCCCCCCOCCCNCCCCCCO/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s14s19;s12;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H25NO3 |
All Atoms: | 46 |
Heavy Atoms: | 21 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.96359 |
Area: | 500.196 |
Solvation: | -6.54131 |
Coulombic: | -34.7129 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.18 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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