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Chemical ID: 6834828
Chemical ID:
6834828
Name [?]:
3-[2-(4-ethoxyphenoxy)acetyl]aminobenzoate
SMILES [?]:
CCOc1ccc(cc1)OCC(=O)Nc2cccc(c2)C(=O)[O-]
InChi [?]:
InChI=1/C17H17NO5/c1-2-22-14-6-8-15(9-7-14)23-11-16(19)18-13-5-3-4-12(10-13)17(20)21/h3-10H,2,11H2,1H3,(H,18,19)(H,20,21)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,17,18,16,5,9,6,8,20,11,19,15,4,7,12,21,14,13,22,23,3,10/E:(6,7)(8,9)(20,21)/rA:23nCCOCCCCCCOCCONCCCCCCCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16NO5- |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -36.0556 |
Area: | 534.846 |
Solvation: | -49.4268 |
Coulombic: | -32.9081 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 314.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.15 |
LogP (Chemaxon): | 2.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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