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Chemical ID: 6648045
Chemical ID:
6648045
Name [?]:
(4-phenylphenyl) [3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)OC(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C20H14F3NO2/c21-20(22,23)16-7-4-8-17(13-16)24-19(25)26-18-11-9-15(10-12-18)14-5-2-1-3-6-14/h1-13H,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,6,19,3,5,20,18,8,12,9,11,22,4,7,21,17,10,14,23,24,25,26,16,15,13/E:(2,3)(5,6)(9,10)(11,12)(21,22,23)/rA:26nCCCCCCCCCCCCOCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;s13;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14F3NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9602 |
Area: | 544.502 |
Solvation: | -2.65237 |
Coulombic: | -54.9244 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 357.326 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.88 |
LogP (Chemaxon): | 6.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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