Chemical ID: 5784527

CCOc1ccc(cc1)C(=O)NCCCCCC(=O)[O-]
Chemical ID:
5784527
Name [?]:
6-(4-ethoxybenzoyl)aminohexanoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)NCCCCCC(=O)[O-]
InChi [?]:
InChI=1/C15H21NO4/c1-2-20-13-9-7-12(8-10-13)15(19)16-11-5-3-4-6-14(17)18/h7-10H,2-6,11H2,1H3,(H,16,19)(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,15,16,14,17,6,8,5,9,13,7,4,18,10,12,19,20,11,3/E:(7,8)(9,10)(17,18)/rA:20nCCOCCCCCCCONCCCCCCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s16;s17;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H20NO4-
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-32.676
Area:528.879
Solvation:-45.898
Coulombic:-27.7362
Bond Count [?]
All:20
Single:15
Double:5
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:278.324
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.9
LogP (Chemaxon):1.8

Name Annotations

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Descriptor Annotations

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