Chemical ID: 4405951

Cc1ccc(cc1N2CCN(CC2)CC(COc3ccc(cc3)F)O)Cl
Chemical ID:
4405951
Name [?]:
1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(4-fluorophenoxy)-propan-2-ol
SMILES [?]:
Cc1ccc(cc1N2CCN(CC2)CC(COc3ccc(cc3)F)O)Cl
InChi [?]:
InChI=1/C20H24ClFN2O2/c1-15-2-3-16(21)12-20(15)24-10-8-23(9-11-24)13-18(25)14-26-19-6-4-17(22)5-7-19/h2-7,12,18,25H,8-11,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,20,22,19,23,10,12,9,13,6,14,16,2,5,21,15,18,7,26,24,11,8,25,17/E:(4,5)(6,7)(8,9)(10,11)/rA:26cCCCCCCCNCCNCCCCCOCCCCCCFOCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;s15;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H24ClFN2O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:9.09872
Area:600.43
Solvation:-5.91203
Coulombic:-39.2827
Bond Count [?]
All:28
Single:22
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:378.868
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.94
LogP (Chemaxon):4.48

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue