Chemical ID: 6724181

COc1ccc(cc1)CC(=O)Nc2ccc(cc2C(=O)[O-])O
Chemical ID:
6724181
Name [?]:
5-hydroxy-2-[2-(4-methoxyphenyl)acetyl]amino-benzoate
SMILES [?]:
COc1ccc(cc1)CC(=O)Nc2ccc(cc2C(=O)[O-])O
InChi [?]:
InChI=1/C16H15NO5/c1-22-12-5-2-10(3-6-12)8-15(19)17-14-7-4-11(18)9-13(14)16(20)21/h2-7,9,18H,8H2,1H3,(H,17,19)(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,5,7,15,4,8,14,9,17,6,16,3,18,13,10,19,12,22,11,20,21,2/E:(2,3)(5,6)(20,21)/rA:22nCOCCCCCCCCONCCCCCCCOO-O/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;d19;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14NO5-
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-30.4739
Area:495.099
Solvation:-42.8513
Coulombic:-45.7603
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:300.286
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:1.67
LogP (Chemaxon):2.85

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue