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Chemical ID: 7010352
Chemical ID:
7010352
Name [?]:
2-[3-(4-methoxyphenyl)benzoyl]aminobenzoic acid
SMILES [?]:
COc1ccc(cc1)c2cccc(c2)C(=O)Nc3ccccc3C(=O)O
InChi [?]:
InChI=1/C21H17NO4/c1-26-17-11-9-14(10-12-17)15-5-4-6-16(13-15)20(23)22-19-8-3-2-7-18(19)21(24)25/h2-13H,1H3,(H,22,23)(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,21,20,11,10,12,22,19,5,7,4,8,14,6,9,13,3,23,18,15,24,17,16,25,26,2/E:(9,10)(11,12)(24,25)/rA:26nCOCCCCCCCCCCCCCONCCCCCCCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17NO4 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0784 |
Area: | 557.336 |
Solvation: | -3.85495 |
Coulombic: | -58.8434 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 347.364 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 5.11 |
LogP (Chemaxon): | 4.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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