Chemical ID: 4565601

COc1ccc(cc1OC)C(=O)Nc2ccc(cc2C(=O)O)O
Chemical ID:
4565601
Name [?]:
2-(3,4-dimethoxybenzoyl)amino-5-hydroxy-benzoic acid
SMILES [?]:
COc1ccc(cc1OC)C(=O)Nc2ccc(cc2C(=O)O)O
InChi [?]:
InChI=1/C16H15NO6/c1-22-13-6-3-9(7-14(13)23-2)15(19)17-12-5-4-10(18)8-11(12)16(20)21/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,10,5,16,15,4,7,18,6,17,19,14,3,8,11,20,13,23,12,21,22,2,9/E:(20,21)/rA:23nCOCCCCCCOCCONCCCCCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15NO6
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:6.2965
Area:506.025
Solvation:-6.35411
Coulombic:-78.0085
Bond Count [?]
All:24
Single:16
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:317.293
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:1.98
LogP (Chemaxon):2.48

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