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Chemical ID: 7420415
Chemical ID:
7420415
Name [?]:
2-hydroxy-5-[3-(4-methoxyphenyl)propanoylamino]benzoic acid
SMILES [?]:
COc1ccc(cc1)CCC(=O)Nc2ccc(c(c2)C(=O)O)O
InChi [?]:
InChI=1/C17H17NO5/c1-23-13-6-2-11(3-7-13)4-9-16(20)18-12-5-8-15(19)14(10-12)17(21)22/h2-3,5-8,10,19H,4,9H2,1H3,(H,18,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,7,9,15,4,8,16,10,19,6,14,3,18,17,11,20,13,23,12,21,22,2/E:(2,3)(6,7)(21,22)/rA:23nCOCCCCCCCCCONCCCCCCCOOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO5 |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.75812 |
Area: | 527.723 |
Solvation: | -5.43497 |
Coulombic: | -69.6137 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.321 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.87 |
LogP (Chemaxon): | 3.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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