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Chemical ID: 7106931
Chemical ID:
7106931
Name [?]:
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CNCc2ccccc2OCc3ccc(cc3)F
InChi [?]:
InChI=1/C21H20FNO/c22-20-12-10-18(11-13-20)16-24-21-9-5-4-8-19(21)15-23-14-17-6-2-1-3-7-17/h1-13,23H,14-16H2
InChi Info:
AuxInfo=1/0/N:1,2,6,12,13,3,5,11,14,19,23,20,22,7,9,17,4,18,10,21,15,24,8,16/E:(2,3)(6,7)(10,11)(12,13)/rA:24nCCCCCCCNCCCCCCCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s16;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20FNO |
All Atoms: | 44 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74902 |
Area: | 552.02 |
Solvation: | -4.05148 |
Coulombic: | -23.5649 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 321.388 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.03 |
LogP (Chemaxon): | 5.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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