ChemDB: Chemical Search
Download
Chemical ID: 5493374
Chemical ID:
5493374
Name [?]:
phenothiazin-10-ylcarbonylmethyl cyclopropanecarboxylate
SMILES [?]:
c1ccc2c(c1)N(c3ccccc3S2)C(=O)COC(=O)C4CC4
InChi [?]:
InChI=1/C18H15NO3S/c20-17(11-22-18(21)12-9-10-12)19-13-5-1-3-7-15(13)23-16-8-4-2-6-14(16)19/h1-8,12H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,22,23,17,21,5,8,4,13,15,19,7,16,20,18,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:23nCCCCCCNCCCCCCSCOCOCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s15;s17;s18;d19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NO3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.82186 |
Area: | 502.274 |
Solvation: | -2.735 |
Coulombic: | -36.6903 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 325.383 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.07 |
LogP (Chemaxon): | 3.55 |
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 |
---|