Chemical ID: 6708842

c1cc[nH+]c(c1)C2Nc3c(c4c(s3)CCCC4)C(=O)N2
Chemical ID:
6708842
Name [?]:
None
SMILES [?]:
c1cc[nH+]c(c1)C2Nc3c(c4c(s3)CCCC4)C(=O)N2
InChi [?]:
InChI=1/C15H15N3OS/c19-14-12-9-5-1-2-7-11(9)20-15(12)18-13(17-14)10-6-3-4-8-16-10/h3-4,6,8,13,18H,1-2,5,7H2,(H,17,19)/p+1
InChi Info:
AuxInfo=1/1/N:16,15,1,2,17,6,14,3,11,5,12,10,7,18,9,4,20,8,19,13/rA:20cCCCN+CCCNCCCCSCCCCCON/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;s9s12;s12;s14;s15;s11s16;s10;d18;s7s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N3OS+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:-22.8206
Area:447.439
Solvation:-34.0066
Coulombic:-24.9163
Bond Count [?]
All:23
Single:17
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:286.373
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:1.37
LogP (Chemaxon):2.5

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