Chemical ID: 4763982

c1c(c(=O)[nH]c(=O)n1C2CCCCC2)C#N
Chemical ID:
4763982
Name [?]:
1-cyclohexyl-2,4-dioxo-pyrimidine-5-carbonitrile
SMILES [?]:
c1c(c(=O)[nH]c(=O)n1C2CCCCC2)C#N
InChi [?]:
InChI=1/C11H13N3O2/c12-6-8-7-14(11(16)13-10(8)15)9-4-2-1-3-5-9/h7,9H,1-5H2,(H,13,15,16)
InChi Info:
AuxInfo=1/1/N:12,11,13,10,14,15,1,2,9,3,6,16,5,8,4,7/E:(2,3)(4,5)/rA:16nCCCONCONCCCCCCCN/rB:d1;s2;d3;s3;s5;d6;s1s6;s8;s9;s10;s11;s12;s9s13;s2;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.24323
Area:388.178
Solvation:-2.46122
Coulombic:-41.2956
Bond Count [?]
All:17
Single:13
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:219.24
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:0.74
LogP (Chemaxon):1.4

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