Chemical ID: 6711039

COc1ccc(c(c1)OC)NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
Chemical ID:
6711039
Name [?]:
2-[(2,4-dimethoxyphenyl)carbamoyl]terephthalate
SMILES [?]:
COc1ccc(c(c1)OC)NC(=O)c2cc(ccc2C(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C17H15NO7/c1-24-10-4-6-13(14(8-10)25-2)18-15(19)12-7-9(16(20)21)3-5-11(12)17(22)23/h3-8H,1-2H3,(H,18,19)(H,20,21)(H,22,23)/p-2
InChi Info:
AuxInfo=1/1/N:1,10,17,4,18,5,15,8,16,3,19,14,6,7,12,23,20,11,13,24,25,21,22,2,9/E:(20,21)(22,23)/rA:25nCOCCCCCCOCNCOCCCCCCCOO-COO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d20;s20;s16;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO7-2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-96.3313
Area:535.849
Solvation:-109.728
Coulombic:-11.3418
Bond Count [?]
All:26
Single:17
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:343.288
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.09
LogP (Chemaxon):1.63

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Descriptor Annotations

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