ChemDB: Chemical Search
Download
Chemical ID: 4669408
Chemical ID:
4669408
Name [?]:
1-phenothiazin-10-yl-2-phenyl-ethanone
SMILES [?]:
c1ccc(cc1)CC(=O)N2c3ccccc3Sc4c2cccc4
InChi [?]:
InChI=1/C20H15NOS/c22-20(14-15-8-2-1-3-9-15)21-16-10-4-6-12-18(16)23-19-13-7-5-11-17(19)21/h1-13H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,21,14,22,3,5,12,20,15,23,7,4,11,19,16,18,8,10,9,17/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(16,17)(18,19)/rA:23nCCCCCCCCONCCCCCCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15NOS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.164 |
Area: | 489.695 |
Solvation: | -2.07842 |
Coulombic: | -19.6463 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 317.405 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.69 |
LogP (Chemaxon): | 5.13 |
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 |
---|