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Chemical ID: 4910608
Chemical ID:
4910608
Name [?]:
4-[4-(4-fluorobenzoyl)-1-piperidyl]-1-(4-fluorophenyl)-butan-1-one
SMILES [?]:
c1cc(ccc1C(=O)CCCN2CCC(CC2)C(=O)c3ccc(cc3)F)F
InChi [?]:
InChI=1/C22H23F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18H,1-2,11-15H2
InChi Info:
AuxInfo=1/0/N:10,9,1,5,21,25,2,4,22,24,14,16,11,13,17,6,20,15,3,23,7,18,27,26,12,8,19/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:27nCCCCCCCOCCCNCCCCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;s11;s12;s13;s14;s15;s12s16;s15;d18;s18;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23F2NO2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.2691 |
Area: | 598.58 |
Solvation: | -5.69539 |
Coulombic: | -28.3468 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 371.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.08 |
LogP (Chemaxon): | 3.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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