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Chemical ID: 4565601
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
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Experimental Annotations
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Descriptor Annotations
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