Chemical ID: 5871646

c1cc(oc1)c2cc[nH]c(=O)c2C#N
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue