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Chemical ID: 5755558
Chemical ID:
5755558
Name [?]:
1-(p-tolyl)-3-[4-(trifluoromethyl)phenyl]-urea
SMILES [?]:
Cc1ccc(cc1)NC(=O)Nc2ccc(cc2)C(F)(F)F
InChi [?]:
InChI=1/C15H13F3N2O/c1-10-2-6-12(7-3-10)19-14(21)20-13-8-4-11(5-9-13)15(16,17)18/h2-9H,1H3,(H2,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,14,16,4,6,13,17,2,15,5,12,9,18,19,20,21,8,11,10/E:(2,3)(4,5)(6,7)(8,9)(16,17,18)/rA:21nCCCCCCCNCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13F3N2O |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.94156 |
Area: | 460.239 |
Solvation: | -2.56441 |
Coulombic: | -53.9919 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 294.272 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 3.84 |
LogP (Chemaxon): | 4.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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