Chemical ID: 6648045

c1ccc(cc1)c2ccc(cc2)OC(=O)Nc3cccc(c3)C(F)(F)F
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

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