Chemical ID: 5654407

c1ccc(c(c1)c2ccc(o2)C=CC(=O)c3cccnc3)N(=O)=O
Chemical ID:
5654407
Name [?]:
3-[5-(2-nitrophenyl)-2-furyl]-1-(3-pyridyl)prop-2-en-1-one
SMILES [?]:
c1ccc(c(c1)c2ccc(o2)C=CC(=O)c3cccnc3)N(=O)=O
InChi [?]:
InChI=1/C18H12N2O4/c21-17(13-4-3-11-19-12-13)9-7-14-8-10-18(24-14)15-5-1-2-6-16(15)20(22)23/h1-12H
InChi Info:
AuxInfo=1/0/N:1,2,18,17,6,3,12,9,13,8,19,21,16,10,5,4,14,7,20,22,15,23,24,11/E:(22,23)/CRV:20.5/rA:24nCCCCCCCCCCOCCCOCCCCNCNOO/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s7s10;s10;w12;s13;d14;s14;s16;d17;s18;d19;d16s20;s4;d22;d22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12N2O4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:2.51549
Area:505.362
Solvation:-10.1186
Coulombic:-28.1875
Bond Count [?]
All:26
Single:14
Double:12
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:320.299
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.14
LogP (Chemaxon):3.05

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