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Chemical ID: 7243036
Chemical ID:
7243036
Name [?]:
(4-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]-methanone
SMILES [?]:
c1ccc(c(c1)N2CCN(CC2)C(=O)c3ccc(cc3)N)F
InChi [?]:
InChI=1/C17H18FN3O/c18-15-3-1-2-4-16(15)20-9-11-21(12-10-20)17(22)13-5-7-14(19)8-6-13/h1-8H,9-12,19H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,16,20,17,19,8,12,9,11,15,18,4,5,13,22,21,7,10,14/E:(5,6)(7,8)(9,10)(11,12)/rA:22nCCCCCCNCCNCCCOCCCCCCNF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s7s11;s10;d13;s13;s15;d16;s17;d18;d15s19;s18;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18FN3O |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.3689 |
Area: | 484.519 |
Solvation: | -3.74407 |
Coulombic: | -45.1966 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.72 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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