Chemical ID: 4911966

Cn1ccc2c1ccc3c2OS(=O)(=O)C=C3N4CCOCC4
Chemical ID:
4911966
Name [?]:
None
SMILES [?]:
Cn1ccc2c1ccc3c2OS(=O)(=O)C=C3N4CCOCC4
InChi [?]:
InChI=1/C15H16N2O4S/c1-16-5-4-12-13(16)3-2-11-14(17-6-8-20-9-7-17)10-22(18,19)21-15(11)12/h2-5,10H,6-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,7,4,3,18,22,19,21,15,9,5,6,16,10,2,17,13,14,20,11,12/E:(6,7)(8,9)(18,19)/CRV:22.6/rA:22nCNCCCCCCCCOSOOCCNCCOCC/rB:s1;s2;d3;s4;s2s5;d6;s7;d8;d5s9;s10;s11;d12;d12;s12;s9d15;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O4S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.68137
Area:471.861
Solvation:-4.11516
Coulombic:-26.8542
Bond Count [?]
All:25
Single:18
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:320.365
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.15
LogP (Chemaxon):0.94

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Descriptor Annotations

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