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Chemical ID: 4514902
Chemical ID:
4514902
Name [?]:
2-(2-pyridylcarbamoyl)terephthalic acid
SMILES [?]:
c1ccnc(c1)NC(=O)c2cc(ccc2C(=O)O)C(=O)O
InChi [?]:
InChI=1/C14H10N2O5/c17-12(16-11-3-1-2-6-15-11)10-7-8(13(18)19)4-5-9(10)14(20)21/h1-7H,(H,18,19)(H,20,21)(H,15,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,14,3,11,12,15,10,5,8,19,16,4,7,9,20,21,17,18/E:(18,19)(20,21)/rA:21nCCCNCCNCOCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s16;s12;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10N2O5 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.04216 |
Area: | 463.731 |
Solvation: | -5.55112 |
Coulombic: | -77.3175 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.24 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 1.7 |
LogP (Chemaxon): | 0.64 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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