ChemDB: Chemical Search
Download
Chemical ID: 4195554
Chemical ID:
4195554
Name [?]:
methyl 2-(5-chloro-2-methoxy-benzoyl)aminobenzoate
SMILES [?]:
COc1ccc(cc1C(=O)Nc2ccccc2C(=O)OC)Cl
InChi [?]:
InChI=1/C16H14ClNO4/c1-21-14-8-7-10(17)9-12(14)15(19)18-13-6-4-3-5-11(13)16(20)22-2/h3-9H,1-2H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,21,15,14,16,13,5,4,7,6,17,8,12,3,9,18,22,11,10,19,2,20/rA:22nCOCCCCCCCONCCCCCCCOOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14ClNO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46037 |
Area: | 505.459 |
Solvation: | -4.17611 |
Coulombic: | -48.4711 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 319.739 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.89 |
LogP (Chemaxon): | 3.57 |
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 |
---|