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Chemical ID: 6365063
Chemical ID:
6365063
Name [?]:
(3,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]-methanone
SMILES [?]:
Cc1ccc(cc1C)C(=O)N2CCN(CC2)c3ccccc3F
InChi [?]:
InChI=1/C19H21FN2O/c1-14-7-8-16(13-15(14)2)19(23)22-11-9-21(10-12-22)18-6-4-3-5-17(18)20/h3-8,13H,9-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,20,19,21,18,3,4,13,15,12,16,6,2,7,5,22,17,9,23,14,11,10/E:(9,10)(11,12)/rA:23nCCCCCCCCCONCCNCCCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21FN2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16271 |
Area: | 505.697 |
Solvation: | -3.47972 |
Coulombic: | -29.4215 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 312.381 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.41 |
LogP (Chemaxon): | 4.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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