Chemical ID: 6507565

c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)NCCCO
Chemical ID:
6507565
Name [?]:
N-(3-hydroxypropyl)-2-nitro-benzenesulfonamide
SMILES [?]:
c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)NCCCO
InChi [?]:
InChI=1/C9H12N2O5S/c12-7-3-6-10-17(15,16)9-5-2-1-4-8(9)11(13)14/h1-2,4-5,10,12H,3,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,15,6,3,14,16,5,4,13,7,17,8,9,11,12,10/E:(13,14)(15,16)/CRV:11.5,17.6/rA:17nCCCCCCN+OO-SOONCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4;d10;d10;s10;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O5S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:1.40747
Area:417.703
Solvation:-9.03511
Coulombic:-37.0975
Bond Count [?]
All:17
Single:11
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:260.268
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:0.29
LogP (Chemaxon):0.49

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