ChemDB: Chemical Search
Download
Chemical ID: 4745709
Chemical ID:
4745709
Name [?]:
2-chloro-6-phenoxy-benzonitrile
SMILES [?]:
c1ccc(cc1)Oc2cccc(c2C#N)Cl
InChi [?]:
InChI=1/C13H8ClNO/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-8H
InChi Info:
AuxInfo=1/0/N:1,2,6,10,3,5,11,9,14,4,13,12,8,16,15,7/E:(2,3)(5,6)/rA:16nCCCCCCOCCCCCCCNCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;t14;s12;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8ClNO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.05709 |
Area: | 402.473 |
Solvation: | -2.00473 |
Coulombic: | -13.3307 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 229.661 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.85 |
LogP (Chemaxon): | 3.81 |
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 |
---|