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Chemical ID: 6727876
Chemical ID:
6727876
Name [?]:
2-[(2-fluorophenyl)carbamoylamino]acetate
SMILES [?]:
c1ccc(c(c1)NC(=O)NCC(=O)[O-])F
InChi [?]:
InChI=1/C9H9FN2O3/c10-6-3-1-2-4-7(6)12-9(15)11-5-8(13)14/h1-4H,5H2,(H,13,14)(H2,11,12,15)/p-1
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,4,5,12,8,15,10,7,13,14,9/E:(13,14)/rA:15nCCCCCCNCONCCOO-F/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8FN2O3- |
All Atoms: | 23 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -33.9683 |
Area: | 376.972 |
Solvation: | -43.3926 |
Coulombic: | -40.1094 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 211.17 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | -0.02 |
LogP (Chemaxon): | 0.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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