Chemical ID: 6831938

Cc1cc(cc(c1)OCC(=O)Nc2ccc(cc2)C(=O)[O-])C
Chemical ID:
6831938
Name [?]:
4-[2-(3,5-dimethylphenoxy)acetyl]aminobenzoate
SMILES [?]:
Cc1cc(cc(c1)OCC(=O)Nc2ccc(cc2)C(=O)[O-])C
InChi [?]:
InChI=1/C17H17NO4/c1-11-7-12(2)9-15(8-11)22-10-16(19)18-14-5-3-13(4-6-14)17(20)21/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,22,15,17,14,18,3,7,5,9,2,4,16,13,6,10,19,12,11,20,21,8/E:(1,2)(3,4)(5,6)(8,9)(11,12)(20,21)/rA:22nCCCCCCCOCCONCCCCCCCOO-C/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16NO4-
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-33.6379
Area:517.087
Solvation:-46.565
Coulombic:-27.9831
Bond Count [?]
All:23
Single:15
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:298.313
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.68
LogP (Chemaxon):3.33

Name Annotations

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Descriptor Annotations

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