ChemDB: Chemical Search
Download
Chemical ID: 4975578
Chemical ID:
4975578
Name [?]:
2-anilino-6-chloro-benzoic acid
SMILES [?]:
c1ccc(cc1)Nc2cccc(c2C(=O)O)Cl
InChi [?]:
InChI=1/C13H10ClNO2/c14-10-7-4-8-11(12(10)13(16)17)15-9-5-2-1-3-6-9/h1-8,15H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,3,5,11,9,4,12,8,13,14,17,7,15,16/E:(2,3)(5,6)(16,17)/rA:17nCCCCCCNCCCCCCCOOCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;d14;s14;s12;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10ClNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.48435 |
Area: | 417.578 |
Solvation: | -1.9551 |
Coulombic: | -40.656 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 247.677 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.11 |
LogP (Chemaxon): | 3.98 |
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 |
---|