Chemical ID: 5692753

c1cc(cc(c1)N(=O)=O)c2ccc(o2)C=CC(=O)c3ccco3
Chemical ID:
5692753
Name [?]:
1-(2-furyl)-3-[5-(3-nitrophenyl)-2-furyl]-prop-2-en-1-one
SMILES [?]:
c1cc(cc(c1)N(=O)=O)c2ccc(o2)C=CC(=O)c3ccco3
InChi [?]:
InChI=1/C17H11NO5/c19-15(17-5-2-10-22-17)8-6-14-7-9-16(23-14)12-3-1-4-13(11-12)18(20)21/h1-11H
InChi Info:
AuxInfo=1/0/N:1,21,2,6,20,15,12,16,11,22,4,3,5,13,17,10,19,7,18,8,9,23,14/E:(20,21)/CRV:18.5/rA:23nCCCCCCNOOCCCCOCCCOCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s3;d10;s11;d12;s10s13;s13;w15;s16;d17;s17;d19;s20;d21;s19s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H11NO5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.20822
Area:504.108
Solvation:-8.39449
Coulombic:-35.6328
Bond Count [?]
All:25
Single:14
Double:11
Rotors:5
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:309.273
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.09
LogP (Chemaxon):3.31

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Descriptor Annotations

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