Chemical ID: 4284932

COC(=O)c1cccc(c1)S(=O)(=O)N2CCOCC2
Chemical ID:
4284932
Name [?]:
methyl 3-morpholinosulfonylbenzoate
SMILES [?]:
COC(=O)c1cccc(c1)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C12H15NO5S/c1-17-12(14)10-3-2-4-11(9-10)19(15,16)13-5-7-18-8-6-13/h2-4,9H,5-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,7,6,8,15,19,16,18,10,5,9,3,14,4,12,13,2,17,11/E:(5,6)(7,8)(15,16)/CRV:19.6/rA:19nCOCOCCCCCCSOONCCOCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;d11;d11;s11;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO5S
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:7.49549
Area:456.053
Solvation:-3.90584
Coulombic:-34.8385
Bond Count [?]
All:20
Single:14
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:285.317
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:0.65
LogP (Chemaxon):0.38

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Descriptor Annotations

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