Chemical ID: 4807821

c1ccc(cc1)c2nc(on2)c3ccccc3C(=O)Nc4ccc(cc4)Cl
Chemical ID:
4807821
Name [?]:
N-(4-chlorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-benzamide
SMILES [?]:
c1ccc(cc1)c2nc(on2)c3ccccc3C(=O)Nc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H14ClN3O2/c22-15-10-12-16(13-11-15)23-20(26)17-8-4-5-9-18(17)21-24-19(25-27-21)14-6-2-1-3-7-14/h1-13H,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,3,5,16,13,23,25,22,26,4,24,21,17,12,7,18,9,27,20,8,11,19,10/E:(2,3)(6,7)(10,11)(12,13)/rA:27nCCCCCCCNCONCCCCCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s9;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14ClN3O2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.7464
Area:585.014
Solvation:-2.87893
Coulombic:-36.6713
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:375.808
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.7
LogP (Chemaxon):5.65

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Descriptor Annotations

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