ChemDB: Chemical Search
Download
Chemical ID: 5524566
Chemical ID:
5524566
Name [?]:
None
SMILES [?]:
Cc1c(cc2c(n1)-c3cc(cc(c3OC2O)Cl)Cl)C#N
InChi [?]:
InChI=1/C14H8Cl2N2O2/c1-6-7(5-17)2-10-12(18-6)9-3-8(15)4-11(16)13(9)20-14(10)19/h2-4,14,19H,1H3
InChi Info:
AuxInfo=1/0/N:1,4,9,11,19,2,3,10,8,5,12,6,13,15,18,17,20,7,16,14/rA:20cCCCCCCNCCCCCCOCOClClCN/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;d8s12;s13;s5s14;s15;s12;s10;s3;t19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8Cl2N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.78157 |
Area: | 471.233 |
Solvation: | -2.99925 |
Coulombic: | -34.0494 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 307.131 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.21 |
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 |
---|