ChemDB: Chemical Search
Download
Chemical ID: 4753776
Chemical ID:
4753776
Name [?]:
2-methyl-6-[(5-phenyl-2-thienyl)carbonylamino]benzoic acid
SMILES [?]:
Cc1cccc(c1C(=O)O)NC(=O)c2ccc(s2)c3ccccc3
InChi [?]:
InChI=1/C19H15NO3S/c1-12-6-5-9-14(17(12)19(22)23)20-18(21)16-11-10-15(24-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,22,21,23,4,3,20,24,5,16,15,2,19,6,17,14,7,12,8,11,13,9,10,18/E:(3,4)(7,8)(22,23)/rA:24nCCCCCCCCOONCOCCCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;s11;d12;s12;d14;s15;d16;s14s17;s17;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15NO3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9756 |
Area: | 541.428 |
Solvation: | -2.56009 |
Coulombic: | -52.3482 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.393 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.24 |
LogP (Chemaxon): | 4.58 |
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 |
---|