ChemDB: Chemical Search
Download
Chemical ID: 4516431
Chemical ID:
4516431
Name [?]:
4-[2-(4-cyanophenyl)vinyl]benzonitrile
SMILES [?]:
c1cc(ccc1C=Cc2ccc(cc2)C#N)C#N
InChi [?]:
InChI=1/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H
InChi Info:
AuxInfo=1/0/N:7,8,1,5,10,14,2,4,11,13,17,15,6,9,3,12,18,16/E:(1,2)(3,4,5,6)(7,8,9,10)(11,12)(13,14)(15,16)(17,18)/rA:18nCCCCCCCCCCCCCCCNCN/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s9;d10;s11;d12;d9s13;s12;t15;s3;t17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11009 |
Area: | 431.267 |
Solvation: | -1.67158 |
Coulombic: | -10.2374 |
Bond Count [?]
All: | 19 |
Single: | 10 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 230.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.1 |
LogP (Chemaxon): | 3.89 |
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 |
---|