Chemical ID: 7420415

COc1ccc(cc1)CCC(=O)Nc2ccc(c(c2)C(=O)O)O
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

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