Chemical ID: 6395059

Cc1cc(ccc1OCCCC(=O)N2CCCCC2C)Cl
Chemical ID:
6395059
Name [?]:
4-(4-chloro-2-methyl-phenoxy)-1-(2-methyl-1-piperidyl)-butan-1-one
SMILES [?]:
Cc1cc(ccc1OCCCC(=O)N2CCCCC2C)Cl
InChi [?]:
InChI=1/C17H24ClNO2/c1-13-12-15(18)8-9-16(13)21-11-5-7-17(20)19-10-4-3-6-14(19)2/h8-9,12,14H,3-7,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,20,17,16,10,18,11,5,6,15,9,3,2,19,4,7,12,21,14,13,8/rA:21cCCCCCCCOCCCCONCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s12;s14;s15;s16;s17;s14s18;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24ClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.94774
Area:526.581
Solvation:-3.21679
Coulombic:-23.7214
Bond Count [?]
All:22
Single:18
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:309.831
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.94
LogP (Chemaxon):3.52

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