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Chemical ID: 6674605
Chemical ID:
6674605
Name [?]:
[3-(trifluoromethyl)phenyl] (2-ethylphenyl)aminoformate
SMILES [?]:
CCc1ccccc1NC(=O)Oc2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C16H14F3NO2/c1-2-11-6-3-4-9-14(11)20-15(21)22-13-8-5-7-12(10-13)16(17,18)19/h3-10H,2H2,1H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,15,4,16,14,7,18,3,17,13,8,10,19,20,21,22,9,11,12/E:(17,18,19)/rA:22nCCCCCCCCNCOOCCCCCCCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14F3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86183 |
Area: | 482.874 |
Solvation: | -2.21002 |
Coulombic: | -53.6141 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 309.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.63 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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