Chemical ID: 4598030

c1ccc2c(c1)N(c3ccccc3S2)C(=O)Cc4ccc(cc4)F
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

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Descriptor Annotations

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