ChemDB: Chemical Search
Download
Chemical ID: 6450269
Chemical ID:
6450269
Name [?]:
2-(3-chlorophenyl)aminobenzoic acid
SMILES [?]:
c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,14,12,6,3,16,15,11,5,4,7,17,10,8,9/E:(16,17)/rA:17nCCCCCCCOONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;s10;s11;d12;s13;d14;d11s15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H10ClNO2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.40123 |
Area: | 412.501 |
Solvation: | -1.91128 |
Coulombic: | -40.6291 |
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 |
---|