Chemical ID: 4559932

c1ccc2c(c1)c3c([nH]2)CCN(C3)S(=O)(=O)c4ccccc4[N+](=O)[O-]
Chemical ID:
4559932
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)CCN(C3)S(=O)(=O)c4ccccc4[N+](=O)[O-]
InChi [?]:
InChI=1/C17H15N3O4S/c21-20(22)16-7-3-4-8-17(16)25(23,24)19-10-9-15-13(11-19)12-5-1-2-6-14(12)18-15/h1-8,18H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,2,20,19,6,3,21,18,10,11,13,5,7,4,8,22,17,9,12,23,24,25,15,16,14/E:(21,22)(23,24)/CRV:20.5,25.6/rA:25cCCCCCCCCNCCNCSOOCCCCCCN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s7s12;s12;d14;d14;s14;s17;d18;s19;d20;d17s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15N3O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:2.82647
Area:511.264
Solvation:-9.95514
Coulombic:-26.4796
Bond Count [?]
All:28
Single:18
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:357.385
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.52
LogP (Chemaxon):2.85

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