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Chemical ID: 4357554
Chemical ID:
4357554
Name [?]:
ethyl 2-(3-fluorophenyl)amino-2-phenyl-acetate
SMILES [?]:
CCOC(=O)C(c1ccccc1)Nc2cccc(c2)F
InChi [?]:
InChI=1/C16H16FNO2/c1-2-20-16(19)15(12-7-4-3-5-8-12)18-14-10-6-9-13(17)11-14/h3-11,15,18H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,9,11,16,8,12,17,15,19,7,18,14,6,4,20,13,5,3/E:(4,5)(7,8)/rA:20cCCOCOCCCCCCCNCCCCCCF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s6;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16FNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.79875 |
Area: | 471.571 |
Solvation: | -2.99053 |
Coulombic: | -37.7271 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 273.302 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 3.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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