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Chemical ID: 6710857
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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