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Chemical ID: 4598030
Chemical ID:
4598030
Name [?]:
2-(4-fluorophenyl)-1-phenothiazin-10-yl-ethanone
SMILES [?]:
c1ccc2c(c1)N(c3ccccc3S2)C(=O)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C20H14FNOS/c21-15-11-9-14(10-12-15)13-20(23)22-16-5-1-3-7-18(16)24-19-8-4-2-6-17(19)22/h1-12H,13H2
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,19,23,20,22,17,18,21,5,8,4,13,15,24,7,16,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(16,17)(18,19)/rA:24nCCCCCCNCCCCCCSCOCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s15;s17;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H14FNOS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.51902 |
Area: | 495.873 |
Solvation: | -2.8778 |
Coulombic: | -22.7034 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 335.396 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.85 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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