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Chemical ID: 7106171
Chemical ID:
7106171
Name [?]:
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-1-phenyl-ethanol
SMILES [?]:
c1ccc(cc1)C(CNCc2cccc(c2)OCc3ccc(cc3)F)O
InChi [?]:
InChI=1/C22H22FNO2/c23-20-11-9-17(10-12-20)16-26-21-8-4-5-18(13-21)14-24-15-22(25)19-6-2-1-3-7-19/h1-13,22,24-25H,14-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,12,3,5,14,20,24,21,23,16,10,8,18,19,11,4,22,15,7,25,9,26,17/E:(2,3)(6,7)(9,10)(11,12)/rA:26cCCCCCCCCNCCCCCCCOCCCCCCCFO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H22FNO2 |
All Atoms: | 48 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.63648 |
Area: | 601.527 |
Solvation: | -5.40169 |
Coulombic: | -40.0276 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.414 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.42 |
LogP (Chemaxon): | 4.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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