Chemical ID: 4375442

CC(=O)Oc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccccc3C(=O)O
Chemical ID:
4375442
Name [?]:
2-[3-(4-acetoxybenzoyl)aminobenzoyl]aminobenzoic acid
SMILES [?]:
CC(=O)Oc1ccc(cc1)C(=O)Nc2cccc(c2)C(=O)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C23H18N2O6/c1-14(26)31-18-11-9-15(10-12-18)21(27)24-17-6-4-5-16(13-17)22(28)25-20-8-3-2-7-19(20)23(29)30/h2-13H,1H3,(H,24,27)(H,25,28)(H,29,30)
InChi Info:
AuxInfo=1/1/N:1,26,25,16,17,15,27,24,7,9,6,10,19,2,8,18,14,5,28,23,11,20,29,13,22,3,12,21,30,31,4/E:(9,10)(11,12)(29,30)/rA:31nCCOOCCCCCCCONCCCCCCCONCCCCCCCOO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H18N2O6
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.4169
Area:648.942
Solvation:-4.80667
Coulombic:-88.161
Bond Count [?]
All:33
Single:20
Double:13
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:418.399
H-Bond Donors:3
H-Bond Acceptors:8
XLogP:4.01
LogP (Chemaxon):3.82

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