ChemDB: Chemical Search
Download
Chemical ID: 7444115
Chemical ID:
7444115
Name [?]:
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-nitrophenyl)-propanamide
SMILES [?]:
c1ccc(c(c1)NC(=O)CCc2nc(no2)c3ccc(cc3)Cl)N(=O)=O
InChi [?]:
InChI=1/C17H13ClN4O4/c18-12-7-5-11(6-8-12)17-20-16(26-21-17)10-9-15(23)19-13-3-1-2-4-14(13)22(24)25/h1-8H,9-10H2,(H,19,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,18,22,19,21,10,11,17,20,5,4,8,12,14,23,7,13,15,24,9,25,26,16/E:(5,6)(7,8)(24,25)/CRV:22.5/rA:26nCCCCCCNCOCCCNCNOCCCCCCClNOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s4;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13ClN4O4 |
All Atoms: | 39 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.76317 |
Area: | 587.732 |
Solvation: | -6.93012 |
Coulombic: | -46.1564 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.762 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.27 |
LogP (Chemaxon): | 3.87 |
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 |
---|