ChemDB: Chemical Search
Download
Chemical ID: 6686555
Chemical ID:
6686555
Name [?]:
3-amino-2-chloro-benzoic acid
SMILES [?]:
c1cc(c(c(c1)N)Cl)C(=O)O
InChi [?]:
InChI=1/C7H6ClNO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,9H2,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,9,8,7,10,11/E:(10,11)/rA:11nCCCCCCNClCOO/rB:s1;d2;s3;d4;d1s5;s5;s4;s3;d9;s9;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H6ClNO2 |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.98035 |
Area: | 309.776 |
Solvation: | -1.76405 |
Coulombic: | -44.4592 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 171.581 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.44 |
LogP (Chemaxon): | 1.11 |
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 |
---|