Chemical ID: 6727876

c1ccc(c(c1)NC(=O)NCC(=O)[O-])F
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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Descriptor Annotations

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