Chemical ID: 4958658

c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3cc(ccc3C(=O)O)C(=O)O
Chemical ID:
4958658
Name [?]:
2-(4-benzamidobenzoyl)aminoterephthalic acid
SMILES [?]:
c1ccc(cc1)C(=O)Nc2ccc(cc2)C(=O)Nc3cc(ccc3C(=O)O)C(=O)O
InChi [?]:
InChI=1/C22H16N2O6/c25-19(13-4-2-1-3-5-13)23-16-9-6-14(7-10-16)20(26)24-18-12-15(21(27)28)8-11-17(18)22(29)30/h1-12H,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,14,22,11,15,23,20,4,13,21,10,24,19,7,16,28,25,9,18,8,17,29,30,26,27/E:(2,3)(4,5)(6,7)(9,10)(27,28)(29,30)/rA:30nCCCCCCCONCCCCCCCONCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s24;d25;s25;s21;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16N2O6
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.1204
Area:626.685
Solvation:-4.54673
Coulombic:-98.6111
Bond Count [?]
All:32
Single:19
Double:13
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:404.372
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:3.84
LogP (Chemaxon):3.84

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