Chemical ID: 4545372

Cc1cccc(c1)NC(=O)c2cc(c3ccccc3c2O)N=Nc4ccc(cc4Cl)O
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

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