Chemical ID: 6702115

c1ccc(c(c1)NC(=O)CCC(=O)[O-])F
Chemical ID:
6702115
Name [?]:
4-(2-fluorophenyl)amino-4-oxo-butanoate
SMILES [?]:
c1ccc(c(c1)NC(=O)CCC(=O)[O-])F
InChi [?]:
InChI=1/C10H10FNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)/p-1
InChi Info:
AuxInfo=1/1/N:2,1,3,6,10,11,4,5,8,12,15,7,9,13,14/E:(14,15)/rA:15nCCCCCCNCOCCCOO-F/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s12;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9FNO3-
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-34.6715
Area:379.468
Solvation:-44.1582
Coulombic:-23.4585
Bond Count [?]
All:15
Single:10
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:210.182
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.33
LogP (Chemaxon):0.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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