Chemical ID: 4611213

Cc1ccc(cc1C)NC(=O)c2cc(ccc2C(=O)O)C(=O)O
Chemical ID:
4611213
Name [?]:
2-[(3,4-dimethylphenyl)carbamoyl]terephthalic acid
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2cc(ccc2C(=O)O)C(=O)O
InChi [?]:
InChI=1/C17H15NO5/c1-9-3-5-12(7-10(9)2)18-15(19)14-8-11(16(20)21)4-6-13(14)17(22)23/h3-8H,1-2H3,(H,18,19)(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,3,15,4,16,6,13,2,7,14,5,17,12,10,21,18,9,11,22,23,19,20/E:(20,21)(22,23)/rA:23nCCCCCCCCNCOCCCCCCCOOCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;s14;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NO5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:8.49789
Area:509.798
Solvation:-4.24706
Coulombic:-74.6947
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.305
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:3.1
LogP (Chemaxon):3.07

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Descriptor Annotations

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