ChemDB: Chemical Search
Download
Chemical ID: 7741735
Chemical ID:
7741735
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)CC3(O2)CCN(CC3)C(=O)Cc4ccc(cc4)Cl
InChi [?]:
InChI=1/C21H20ClNO3/c22-16-7-5-15(6-8-16)13-20(25)23-11-9-21(10-12-23)14-18(24)17-3-1-2-4-19(17)26-21/h1-8H,9-14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,21,25,22,24,12,16,13,15,19,9,20,23,5,7,4,17,10,26,14,8,18,11/E:(5,6)(7,8)(9,10)(11,12)/rA:26nCCCCCCCOCCOCCNCCCOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4s10;s10;s12;s13;s14;s10s15;s14;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20ClNO3 |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.0656 |
Area: | 561.824 |
Solvation: | -3.97998 |
Coulombic: | -32.8894 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.73 |
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 |
---|