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Chemical ID: 7432987
Chemical ID:
7432987
Name [?]:
2-[4-[3-(4-fluorophenyl)-6-(trifluoromethyl)indan-1-yl]piperazin-1-yl]ethanol
SMILES [?]:
c1cc(ccc1C2CC(c3c2ccc(c3)C(F)(F)F)N4CCN(CC4)CCO)F
InChi [?]:
InChI=1/C22H24F4N2O/c23-17-4-1-15(2-5-17)19-14-21(28-9-7-27(8-10-28)11-12-29)20-13-16(22(24,25)26)3-6-18(19)20/h1-6,13,19,21,29H,7-12,14H2
InChi Info:
AuxInfo=1/0/N:1,5,13,2,4,12,22,24,21,25,26,27,15,8,6,14,3,11,7,10,9,16,29,17,18,19,23,20,28/E:(1,2)(4,5)(7,8)(9,10)(24,25,26)/rA:29cCCCCCCCCCCCCCCCCFFFNCCNCCCCOF/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s7s10;d11;s12;d13;d10s14;s14;s16;s16;s16;s9;s20;s21;s22;s23;s20s24;s23;s26;s27;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H24F4N2O |
All Atoms: | 53 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.48012 |
Area: | 582.403 |
Solvation: | -5.07996 |
Coulombic: | -50.0482 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 408.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.59 |
LogP (Chemaxon): | 4.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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