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Chemical ID: 4262862
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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