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Chemical ID: 4240145
Chemical ID:
4240145
Name [?]:
5-hydroxy-2-[2-(2-methylphenoxy)acetyl]amino-benzoic acid
SMILES [?]:
Cc1ccccc1OCC(=O)Nc2ccc(cc2C(=O)O)O
InChi [?]:
InChI=1/C16H15NO5/c1-10-4-2-3-5-14(10)22-9-15(19)17-13-7-6-11(18)8-12(13)16(20)21/h2-8,18H,9H2,1H3,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,6,15,14,17,9,2,16,18,13,7,10,19,12,22,11,20,21,8/E:(20,21)/rA:22nCCCCCCCOCCONCCCCCCCOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15NO5 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.38605 |
Area: | 500.555 |
Solvation: | -5.12782 |
Coulombic: | -71.3011 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 301.294 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.33 |
LogP (Chemaxon): | 3.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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