Chemical ID: 4514902

c1ccnc(c1)NC(=O)c2cc(ccc2C(=O)O)C(=O)O
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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