Chemical ID: 4514904

c1cc(ccc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O)NC(=O)c3cc(ccc3C(=O)O)C(=O)O
Chemical ID:
4514904
Name [?]:
2-[[4-(2,5-dicarboxybenzoyl)aminophenyl]carbamoyl]terephthalic acid
SMILES [?]:
c1cc(ccc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O)NC(=O)c3cc(ccc3C(=O)O)C(=O)O
InChi [?]:
InChI=1/C24H16N2O10/c27-19(17-9-11(21(29)30)1-7-15(17)23(33)34)25-13-3-5-14(6-4-13)26-20(28)18-10-12(22(31)32)2-8-16(18)24(35)36/h1-10H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChi Info:
AuxInfo=1/1/N:13,28,1,5,2,4,14,29,11,26,12,27,6,3,15,30,10,25,8,23,19,34,16,31,7,22,9,24,20,21,35,36,17,18,32,33/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)(27,28)(29,30,31,32)(33,34,35,36)/gE:(1,2)(3,4)(5,6)/rA:36nCCCCCCNCOCCCCCCCOOCOONCOCCCCCCCOOCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;d16;s16;s12;d19;s19;s3;s22;d23;s23;s25;d26;s27;d28;d25s29;s30;d31;s31;s27;d34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H16N2O10
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:9.98765
Area:718.082
Solvation:-7.96439
Coulombic:-147.799
Bond Count [?]
All:38
Single:23
Double:15
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:492.391
H-Bond Donors:6
H-Bond Acceptors:12
XLogP:2.0
LogP (Chemaxon):2.12

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