ChemDB: Chemical Search
Download
Chemical ID: 4611522
Chemical ID:
4611522
Name [?]:
2-[(2-methoxyphenyl)carbamoyl]terephthalic acid
SMILES [?]:
COc1ccccc1NC(=O)c2cc(ccc2C(=O)O)C(=O)O
InChi [?]:
InChI=1/C16H13NO6/c1-23-13-5-3-2-4-12(13)17-14(18)11-8-9(15(19)20)6-7-10(11)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,15,16,13,14,17,12,8,3,10,21,18,9,11,22,23,19,20,2/E:(19,20)(21,22)/rA:23nCOCCCCCCNCOCCCCCCCOOCOO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d18;s18;s14;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13NO6 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.41604 |
Area: | 502.331 |
Solvation: | -5.14224 |
Coulombic: | -82.6386 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 315.278 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 2.14 |
LogP (Chemaxon): | 1.88 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|