Chemical ID: 7121879

c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C(=O)[O-]
Chemical ID:
7121879
Name [?]:
1-(4-nitrophenyl)sulfonylpiperidine-3-carboxylate
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])S(=O)(=O)N2CCCC(C2)C(=O)[O-]
InChi [?]:
InChI=1/C12H14N2O6S/c15-12(16)9-2-1-7-13(8-9)21(19,20)11-5-3-10(4-6-11)14(17)18/h3-6,9H,1-2,7-8H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:15,16,1,5,2,4,14,18,17,6,3,19,13,7,20,21,8,9,11,12,10/E:(3,4)(5,6)(15,16)(17,18)(19,20)/CRV:14.5,21.6/rA:21cCCCCCCN+OO-SOONCCCCCCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;d10;d10;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H13N2O6S-
All Atoms:34
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-35.3031
Area:481.85
Solvation:-47.3493
Coulombic:-18.8811
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:313.307
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:0.31
LogP (Chemaxon):1.32

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