ChemDB: Chemical Search
Download
Chemical ID: 7668012
Chemical ID:
7668012
Name [?]:
None
SMILES [?]:
CCCCN(c1ccccc1)C(=O)Nc2ccc(c(c2)Cl)Cl
InChi [?]:
InChI=1/C17H18Cl2N2O/c1-2-3-11-21(14-7-5-4-6-8-14)17(22)20-13-9-10-15(18)16(19)12-13/h4-10,12H,2-3,11H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,3,9,8,10,7,11,16,17,4,20,15,6,18,19,12,22,21,14,5,13/E:(5,6)(7,8)/rA:22nCCCCNCCCCCCCONCCCCCCClCl/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s5;d12;s12;s14;s15;d16;s17;d18;d15s19;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18Cl2N2O |
All Atoms: | 40 |
Heavy Atoms: | 22 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.2955 |
Area: | 549.536 |
Solvation: | -1.44287 |
Coulombic: | -33.5049 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.22 |
LogP (Chemaxon): | None |
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 |
---|