ChemDB: Chemical Search
Download
Chemical ID: 4545372
Chemical ID:
4545372
Name [?]:
4-(2-chloro-4-hydroxy-phenyl)azo-1-hydroxy-N-(m-tolyl)naphthalene-2-carboxamide
SMILES [?]:
Cc1cccc(c1)NC(=O)c2cc(c3ccccc3c2O)N=Nc4ccc(cc4Cl)O
InChi [?]:
InChI=1/C24H18ClN3O3/c1-14-5-4-6-15(11-14)26-24(31)19-13-22(17-7-2-3-8-18(17)23(19)30)28-27-21-10-9-16(29)12-20(21)25/h2-13,29-30H,1H3,(H,26,31)
InChi Info:
AuxInfo=1/1/N:1,16,17,4,3,5,15,18,26,25,7,28,12,2,6,27,14,19,11,29,24,13,20,9,30,8,23,22,31,21,10/rA:31nCCCCCCCNCOCCCCCCCCCCONNCCCCCCClO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s20;s13;w22;s23;s24;d25;s26;d27;d24s28;s29;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18ClN3O3 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3889 |
Area: | 610.828 |
Solvation: | -4.88178 |
Coulombic: | -57.5381 |
Bond Count [?]
All: | 34 |
Single: | 21 |
Double: | 13 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 431.871 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 7.05 |
LogP (Chemaxon): | 6.82 |
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 |
---|