Chemical ID: 5138821

c1ccc2c(c1)ccc3c2ccc(n3)C#N
Chemical ID:
5138821
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2ccc(n3)C#N
InChi [?]:
InChI=1/C14H8N2/c15-9-11-6-7-13-12-4-2-1-3-10(12)5-8-14(13)16-11/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,12,11,8,15,5,13,4,10,9,16,14/rA:16nCCCCCCCCCCCCCNCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;s9d13;s13;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8N2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.97892
Area:378.231
Solvation:-1.47686
Coulombic:-11.7911
Bond Count [?]
All:18
Single:10
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:204.227
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.2
LogP (Chemaxon):3.35

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