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Chemical ID: 7305978
Chemical ID:
7305978
Name [?]:
[4-(2-chlorophenyl)piperazin-1-yl]-(3,5-difluorophenyl)-methanone
SMILES [?]:
c1ccc(c(c1)N2CCN(CC2)C(=O)c3cc(cc(c3)F)F)Cl
InChi [?]:
InChI=1/C17H15ClF2N2O/c18-15-3-1-2-4-16(15)21-5-7-22(8-6-21)17(23)12-9-13(19)11-14(20)10-12/h1-4,9-11H,5-8H2
InChi Info:
AuxInfo=1/0/N:2,1,3,6,8,12,9,11,16,20,18,15,17,19,4,5,13,23,22,21,7,10,14/E:(5,6)(7,8)(9,10)(13,14)(19,20)/rA:23nCCCCCCNCCNCCCOCCCCCCFFCl/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: | C17H15ClF2N2O |
All Atoms: | 38 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40776 |
Area: | 501.674 |
Solvation: | -4.1341 |
Coulombic: | -30.9934 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 336.763 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.32 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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