Chemical ID: 5780108

c1ccc(cc1)c2nc(s[n+]2c3ccccc3)N
Chemical ID:
5780108
Name [?]:
2,3-diphenyl-1-thia-4-aza-2-azoniacyclopenta-2,4-dien-5-amine
SMILES [?]:
c1ccc(cc1)c2nc(s[n+]2c3ccccc3)N
InChi [?]:
InChI=1/C14H11N3S/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12/h1-10,15H/p+1
InChi Info:
AuxInfo=1/5/N:1,15,2,6,14,16,3,5,13,17,4,12,7,9,18,8,11,10/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCNCSN+CCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s11;s12;d13;s14;d15;d12s16;s9;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N3S+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-13.6936
Area:420.094
Solvation:-24.1959
Coulombic:-10.7738
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:254.331
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:3.58
LogP (Chemaxon):0.86

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Descriptor Annotations

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