Chemical ID: 5833313

c1ccc(cc1)S(=O)(=O)C(C[N+](=O)[O-])c2ccco2
Chemical ID:
5833313
Name [?]:
2-(2-nitro-1-phenylsulfonyl-ethyl)furan
SMILES [?]:
c1ccc(cc1)S(=O)(=O)C(C[N+](=O)[O-])c2ccco2
InChi [?]:
InChI=1/C12H11NO5S/c14-13(15)9-12(11-7-4-8-18-11)19(16,17)10-5-2-1-3-6-10/h1-8,12H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,6,17,3,5,16,18,11,4,15,10,12,13,14,8,9,19,7/E:(2,3)(5,6)(14,15)(16,17)/CRV:13.5,19.6/rA:19cCCCCCCSOOCCN+OO-CCCCO/rB:s1;d2;s3;d4;d1s5;s4;d7;d7;s7;s10;s11;d12;s12;s10;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H11NO5S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:1
ZAP Information [?]
Total:-1.15
Area:427.76
Solvation:-11.844
Coulombic:-14.9511
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:281.285
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.4
LogP (Chemaxon):1.98

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Descriptor Annotations

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