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Chemical ID: 6519889
Chemical ID:
6519889
Name [?]:
N-(2-hydroxycyclohexyl)-3-nitro-benzenesulfonamide
SMILES [?]:
c1cc(cc(c1)S(=O)(=O)NC2CCCCC2O)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H16N2O5S/c15-12-7-2-1-6-11(12)13-20(18,19)10-5-3-4-9(8-10)14(16)17/h3-5,8,11-13,15H,1-2,6-7H2
InChi Info:
AuxInfo=1/0/N:13,14,1,2,6,12,15,4,3,5,11,16,10,18,17,19,20,8,9,7/E:(16,17)(18,19)/CRV:14.5,20.6/rA:20cCCCCCCSOONCCCCCCON+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;d7;s7;s10;s11;s12;s13;s14;s11s15;s16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16N2O5S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 2.2058 |
Area: | 456.837 |
Solvation: | -9.21512 |
Coulombic: | -38.6356 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.332 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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