Chemical ID: 6732377

c1ccc(c(c1)C(=O)[O-])NC(=O)c2ccc(cc2)F
Chemical ID:
6732377
Name [?]:
2-(4-fluorobenzoyl)aminobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)[O-])NC(=O)c2ccc(cc2)F
InChi [?]:
InChI=1/C14H10FNO3/c15-10-7-5-9(6-8-10)13(17)16-12-4-2-1-3-11(12)14(18)19/h1-8H,(H,16,17)(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,14,18,15,17,13,16,5,4,11,7,19,10,12,8,9/E:(5,6)(7,8)(18,19)/rA:19nCCCCCCCOO-NCOCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9FNO3-
All Atoms:28
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-30.2281
Area:420.522
Solvation:-40.7411
Coulombic:-29.9811
Bond Count [?]
All:20
Single:12
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:258.225
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.93
LogP (Chemaxon):3.41

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue