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Chemical ID: 4236842
Chemical ID:
4236842
Name [?]:
N-(3-ethoxypropyl)-1-phenyl-methanesulfonamide
SMILES [?]:
CCOCCCNS(=O)(=O)Cc1ccccc1
InChi [?]:
InChI=1/C12H19NO3S/c1-2-16-10-6-9-13-17(14,15)11-12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,15,14,16,5,13,17,6,4,11,12,7,9,10,3,8/E:(4,5)(7,8)(14,15)/CRV:17.6/rA:17nCCOCCCNSOOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;d8;s8;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO3S |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.42013 |
Area: | 471.487 |
Solvation: | -4.36704 |
Coulombic: | -18.8034 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 257.35 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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