Chemical ID: 6710857

c1ccnc(c1)C(=O)Nc2cccc(c2)C(=O)[O-]
Chemical ID:
6710857
Name [?]:
3-(2-pyridylcarbonylamino)benzoate
SMILES [?]:
c1ccnc(c1)C(=O)Nc2cccc(c2)C(=O)[O-]
InChi [?]:
InChI=1/C13H10N2O3/c16-12(11-6-1-2-7-14-11)15-10-5-3-4-9(8-10)13(17)18/h1-8H,(H,15,16)(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,3,15,14,10,5,7,16,4,9,8,17,18/E:(17,18)/rA:18nCCCNCCCONCCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9N2O3-
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-34.9667
Area:423.758
Solvation:-45.5607
Coulombic:-26.7838
Bond Count [?]
All:19
Single:11
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:241.222
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.96
LogP (Chemaxon):1.71

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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