Chemical ID: 6834828

CCOc1ccc(cc1)OCC(=O)Nc2cccc(c2)C(=O)[O-]
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

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Descriptor Annotations

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