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Chemical ID: 6526619
Chemical ID:
6526619
Name [?]:
(4-phenyl-1-piperidyl)-[3-(trifluoromethyl)phenyl]-methanone
SMILES [?]:
c1ccc(cc1)C2CCN(CC2)C(=O)c3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C19H18F3NO/c20-19(21,22)17-8-4-7-16(13-17)18(24)23-11-9-15(10-12-23)14-5-2-1-3-6-14/h1-8,13,15H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,17,3,5,16,18,8,12,9,11,20,4,7,15,19,13,21,22,23,24,10,14/E:(2,3)(5,6)(9,10)(11,12)(20,21,22)/rA:24nCCCCCCCCCNCCCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s19;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18F3NO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0075 |
Area: | 509.589 |
Solvation: | -2.73222 |
Coulombic: | -38.6128 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 333.348 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.74 |
LogP (Chemaxon): | 4.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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