Chemical ID: 7305847

c1ccc(c(c1)N2CCN(CC2)C(=O)c3cc(cc(c3)F)F)F
Chemical ID:
7305847
Name [?]:
(3,5-difluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]-methanone
SMILES [?]:
c1ccc(c(c1)N2CCN(CC2)C(=O)c3cc(cc(c3)F)F)F
InChi [?]:
InChI=1/C17H15F3N2O/c18-13-9-12(10-14(19)11-13)17(23)22-7-5-21(6-8-22)16-4-2-1-3-15(16)20/h1-4,9-11H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,8,12,9,11,16,20,18,15,17,19,4,5,13,22,21,23,7,10,14/E:(5,6)(7,8)(9,10)(13,14)(18,19)/rA:23nCCCCCCNCCNCCCOCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s19;s17;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15F3N2O
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.72366
Area:479.119
Solvation:-5.25431
Coulombic:-34.1728
Bond Count [?]
All:25
Single:18
Double:7
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.309
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.86
LogP (Chemaxon):3.56

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Descriptor Annotations

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