Chemical ID: 7655689

c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)Cc3c(cccc3Cl)Cl)[N+](=O)[O-]
Chemical ID:
7655689
Name [?]:
None
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)N2CCN(CC2)Cc3c(cccc3Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C17H17Cl2N3O4S/c18-16-5-2-6-17(19)15(16)12-20-7-9-21(10-8-20)27(25,26)14-4-1-3-13(11-14)22(23)24/h1-6,11H,7-10,12H2
InChi Info:
AuxInfo=1/0/N:1,20,2,6,19,21,12,14,11,15,4,16,3,5,17,18,22,24,23,13,10,25,26,27,8,9,7/E:(5,6)(7,8)(9,10)(16,17)(18,19)(23,24)(25,26)/CRV:22.5,27.6/rA:27nCCCCCCSOONCCNCCCCCCCCCClClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s10s14;s13;s16;s17;d18;s19;d20;d17s21;s22;s18;s3;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17Cl2N3O4S
All Atoms:44
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:6.95969
Area:601.492
Solvation:-8.07761
Coulombic:-24.5606
Bond Count [?]
All:29
Single:20
Double:9
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.48
LogP (Chemaxon):None

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Descriptor Annotations

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