Chemical ID: 4262862

c1ccc(cc1)[S+]2c3ccccc3Nc4c2cccc4
Chemical ID:
4262862
Name [?]:
5-phenyl-10H-phenothiazine
SMILES [?]:
c1ccc(cc1)[S+]2c3ccccc3Nc4c2cccc4
InChi [?]:
InChI=1/C18H14NS/c1-2-8-14(9-3-1)20-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)20/h1-13,19H/q+1
InChi Info:
AuxInfo=1/0/N:1,2,6,11,19,10,18,3,5,12,20,9,17,4,13,15,8,16,14,7/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)(17,18)/CRV:20+1/rA:20cCCCCCCS+CCCCCCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s13;s14;s7s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14NS+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-11.5355
Area:435.91
Solvation:-22.4332
Coulombic:5.82652
Bond Count [?]
All:23
Single:14
Double:9
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:276.376
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.93
LogP (Chemaxon):2.99

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Experimental Annotations

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Descriptor Annotations

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