Chemical ID: 6680594

C[N+](=c1ccc-2nc3ccc(cc3sc2c1)N)C
Chemical ID:
6680594
Name [?]:
(7-aminophenothiazin-3-ylidene)-dimethyl-ammonium
SMILES [?]:
C[N+](=c1ccc-2nc3ccc(cc3sc2c1)N)C
InChi [?]:
InChI=1/C14H13N3S/c1-17(2)10-4-6-12-14(8-10)18-13-7-9(15)3-5-11(13)16-12/h3-8,15H,1-2H3/p+1
InChi Info:
AuxInfo=1/5/N:1,18,10,4,9,5,12,16,11,3,8,6,13,15,17,7,2,14/E:(1,2)/rA:18nCN+CCCCNCCCCCCSCCNC/rB:s1;d2;s3;d4;s5;d6;s7;s8;d9;s10;d11;d8s12;s13;s6s14;s3d15;s11;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N3S+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-19.5363
Area:432.831
Solvation:-30.3571
Coulombic:1.60775
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:256.347
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.2
LogP (Chemaxon):-0.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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