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Chemical ID: 4345111

c1ccc(cc1)OCC(=O)Nc2ccccc2C(=O)Nc3cccc(c3)C(=O)O

Chemical ID:

4345111

Name [?]:

3-[2-(2-phenoxyacetyl)aminobenzoyl]aminobenzoic acid

SMILES [?]:

c1ccc(cc1)OCC(=O)Nc2ccccc2C(=O)Nc3cccc(c3)C(=O)O

InChi [?]:

InChI=1/C22H18N2O5/c25-20(14-29-17-9-2-1-3-10-17)24-19-12-5-4-11-18(19)21(26)23-16-8-6-7-15(13-16)22(27)28/h1-13H,14H2,(H,23,26)(H,24,25)(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,2,6,15,14,23,24,22,3,5,16,13,26,8,25,21,4,17,12,9,18,27,20,11,10,19,28,29,7/E:(2,3)(9,10)(27,28)/rA:29nCCCCCCOCCONCCCCCCCONCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;d27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₈N₂O₅
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1345
Area:	623.976
Solvation:	-5.46485
Coulombic:	-78.1931

Bond Count [?]

All:	31
Single:	19
Double:	12
Rotors:	9
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	390.389
H-Bond Donors:	3
H-Bond Acceptors:	7
XLogP:	3.69
LogP (Chemaxon):	3.45

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value