Chemical ID: 6725779

c1ccc(c(c1)C(=O)N2CCOCCOCCOCC2)C(=O)[O-]
Chemical ID:
6725779
Name [?]:
2-(1,4,7-trioxa-10-azacyclododec-10-ylcarbonyl)benzoate
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCOCCOCCOCC2)C(=O)[O-]
InChi [?]:
InChI=1/C16H21NO6/c18-15(13-3-1-2-4-14(13)16(19)20)17-5-7-21-9-11-23-12-10-22-8-6-17/h1-4H,5-12H2,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,20,11,19,13,17,14,16,5,4,7,21,9,8,22,23,12,18,15/E:(5,6)(7,8)(9,10)(11,12)(19,20)(21,22)/rA:23nCCCCCCCONCCOCCOCCOCCCOO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s13;s14;s15;s16;s17;s18;s9s19;s4;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H20NO6-
All Atoms:43
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-32.4064
Area:463.304
Solvation:-43.989
Coulombic:-42.7856
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:322.333
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:-0.08
LogP (Chemaxon):0.03

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Descriptor Annotations

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