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Chemical ID: 3991688
Chemical ID:
3991688
Name [?]:
2-methyl-5-morpholinosulfonyl-aniline
SMILES [?]:
Cc1ccc(cc1N)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C11H16N2O3S/c1-9-2-3-10(8-11(9)12)17(14,15)13-4-6-16-7-5-13/h2-3,8H,4-7,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,13,17,14,16,6,2,5,7,8,12,10,11,15,9/E:(4,5)(6,7)(14,15)/CRV:17.6/rA:17nCCCCCCCNSOONCCOCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;d9;s9;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26886 |
Area: | 416.076 |
Solvation: | -3.13304 |
Coulombic: | -31.6107 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 256.322 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.12 |
LogP (Chemaxon): | 0.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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