ChemDB: Chemical Search
Download
Chemical ID: 4513396
Chemical ID:
4513396
Name [?]:
3,5-dibromo-N-(2-chlorophenyl)-2-hydroxy-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cc(cc(c2O)Br)Br)Cl
InChi [?]:
InChI=1/C13H8Br2ClNO2/c14-7-5-8(12(18)9(15)6-7)13(19)17-11-4-2-1-3-10(11)16/h1-6,18H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,13,12,10,14,4,5,15,8,18,17,19,7,16,9/rA:19nCCCCCCNCOCCCCCCOBrBrCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s14;s12;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Br2ClNO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.02399 |
Area: | 473.351 |
Solvation: | -2.80977 |
Coulombic: | -38.1802 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 405.469 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.23 |
LogP (Chemaxon): | 4.27 |
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 |
---|