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Chemical ID: 5871646
Chemical ID:
5871646
Name [?]:
4-(2-furyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILES [?]:
c1cc(oc1)c2cc[nH]c(=O)c2C#N
InChi [?]:
InChI=1/C10H6N2O2/c11-6-8-7(3-4-12-10(8)13)9-2-1-5-14-9/h1-5H,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,7,8,5,13,6,12,3,10,14,9,11,4/rA:14nCCCOCCCCNCOCCN/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;s9;d10;d6s10;s12;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.4752 |
Area: | 347.914 |
Solvation: | -3.22265 |
Coulombic: | -29.9184 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 186.167 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.09 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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