ChemDB: Chemical Search
Download
Chemical ID: 5138821
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.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|