Chemical ID: 4268645

c1ccc(cc1)Nc2cc(c(cc2C(=O)O)Nc3ccccc3)C(=O)O
Chemical ID:
4268645
Name [?]:
2,5-dianilinoterephthalic acid
SMILES [?]:
c1ccc(cc1)Nc2cc(c(cc2C(=O)O)Nc3ccccc3)C(=O)O
InChi [?]:
InChI=1/C20H16N2O4/c23-19(24)15-12-18(22-14-9-5-2-6-10-14)16(20(25)26)11-17(15)21-13-7-3-1-4-8-13/h1-12,21-22H,(H,23,24)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,21,2,6,20,22,3,5,19,23,9,12,4,18,13,10,8,11,14,24,7,17,15,16,25,26/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24,25,26)/gE:(1,2)/rA:26nCCCCCCNCCCCCCCOONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s11;s17;s18;d19;s20;d21;d18s22;s10;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.72819
Area:535.547
Solvation:-3.66048
Coulombic:-77.6379
Bond Count [?]
All:28
Single:17
Double:11
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.352
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:4.96
LogP (Chemaxon):4.88

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