Chemical ID: 4240145

Cc1ccccc1OCC(=O)Nc2ccc(cc2C(=O)O)O
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

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Descriptor Annotations

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