Chemical ID: 6474876

CC(=O)N1CCN(CC1)CC(COc2cc(ccc2Cl)Cl)O
Chemical ID:
6474876
Name [?]:
1-[4-[3-(2,5-dichlorophenoxy)-2-hydroxy-propyl]piperazin-1-yl]ethanone
SMILES [?]:
CC(=O)N1CCN(CC1)CC(COc2cc(ccc2Cl)Cl)O
InChi [?]:
InChI=1/C15H20Cl2N2O3/c1-11(20)19-6-4-18(5-7-19)9-13(21)10-22-15-8-12(16)2-3-14(15)17/h2-3,8,13,21H,4-7,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,6,8,5,9,15,10,12,2,16,11,19,14,21,20,7,4,3,22,13/E:(4,5)(6,7)/rA:22cCCONCCNCCCCCOCCCCCCClClO/rB:s1;d2;s2;s4;s5;s6;s7;s4s8;s7;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s16;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20Cl2N2O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:7.89662
Area:559.208
Solvation:-6.08358
Coulombic:-43.2741
Bond Count [?]
All:23
Single:19
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:347.236
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.79
LogP (Chemaxon):1.54

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Descriptor Annotations

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