Chemical ID: 7438650

COc1c(cc2ccccc2n1)c3nc(on3)c4ccc(cc4)N(=O)=O
Chemical ID:
7438650
Name [?]:
2-methoxy-3-[5-(4-nitrophenyl)-1,2,4-oxadiazol-3-yl]-quinoline
SMILES [?]:
COc1c(cc2ccccc2n1)c3nc(on3)c4ccc(cc4)N(=O)=O
InChi [?]:
InChI=1/C18H12N4O4/c1-25-18-14(10-12-4-2-3-5-15(12)19-18)16-20-17(26-21-16)11-6-8-13(9-7-11)22(23)24/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,19,23,20,22,5,18,6,21,4,11,13,15,3,12,14,17,24,25,26,2,16/E:(6,7)(8,9)(23,24)/CRV:22.5/rA:26nCOCCCCCCCCCNCNCONCCCCCCNOO/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s4;s13;d14;s15;d13s16;s15;s18;d19;s20;d21;d18s22;s21;d24;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12N4O4
All Atoms:38
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:5.82169
Area:547.141
Solvation:-7.85683
Coulombic:-39.4142
Bond Count [?]
All:29
Single:17
Double:12
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.312
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.74
LogP (Chemaxon):4.56

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