Chemical ID: 3993881

c1cc(c(cc1S(=O)(=O)N2CCCC2)[N+](=O)[O-])O
Chemical ID:
3993881
Name [?]:
2-nitro-4-pyrrolidin-1-ylsulfonyl-phenol
SMILES [?]:
c1cc(c(cc1S(=O)(=O)N2CCCC2)[N+](=O)[O-])O
InChi [?]:
InChI=1/C10H12N2O5S/c13-10-4-3-8(7-9(10)12(14)15)18(16,17)11-5-1-2-6-11/h3-4,7,13H,1-2,5-6H2
InChi Info:
AuxInfo=1/0/N:12,13,1,2,11,14,5,6,4,3,10,15,18,16,17,8,9,7/E:(1,2)(5,6)(14,15)(16,17)/CRV:12.5,18.6/rA:18nCCCCCCSOONCCCCN+OO-O/rB:s1;d2;s3;d4;d1s5;s6;d7;d7;s7;s10;s11;s12;s10s13;s4;d15;s15;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12N2O5S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:1.44329
Area:427.989
Solvation:-9.25644
Coulombic:-31.3572
Bond Count [?]
All:19
Single:13
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:272.279
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.62
LogP (Chemaxon):1.17

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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