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Chemical ID: 5195766
Chemical ID:
5195766
Name [?]:
(2-fluorophenyl) (3,4-dimethylphenyl)aminoformate
SMILES [?]:
Cc1ccc(cc1C)NC(=O)Oc2ccccc2F
InChi [?]:
InChI=1/C15H14FNO2/c1-10-7-8-12(9-11(10)2)17-15(18)19-14-6-4-3-5-13(14)16/h3-9H,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,8,16,15,17,14,3,4,6,2,7,5,18,13,10,19,9,11,12/rA:19nCCCCCCCCNCOOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14FNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.82138 |
Area: | 441.55 |
Solvation: | -2.21737 |
Coulombic: | -39.0283 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 259.276 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.05 |
LogP (Chemaxon): | 4.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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