Chemical ID: 7521327

CC(=O)c1ccccc1OCC(CN2CCCCCC2)O
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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