Chemical ID: 7010352

COc1ccc(cc1)c2cccc(c2)C(=O)Nc3ccccc3C(=O)O
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

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