ChemDB: Chemical Search
Download
Chemical ID: 6640118
Chemical ID:
6640118
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)c2cc(c3n2c4ccccc4cc3)C(=O)C
InChi [?]:
InChI=1/C22H17NO2/c1-14-7-9-17(10-8-14)22(25)21-13-18(15(2)24)20-12-11-16-5-3-4-6-19(16)23(20)21/h3-13H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,18,17,19,16,3,7,4,6,21,22,11,2,23,20,5,12,15,13,10,8,14,24,9/E:(7,8)(9,10)/rA:25nCCCCCCCCOCCCCNCCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;d10;s11;d12;s10s13;s14;s15;d16;s17;d18;d15s19;s20;s13d21;s12;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H17NO2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.81078 |
Area: | 518.732 |
Solvation: | -3.15753 |
Coulombic: | -24.6408 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.376 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.65 |
LogP (Chemaxon): | 4.38 |
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 |
---|