Chemical ID: 4040433

c1ccc(c(c1)C#N)S(=O)(=O)N2CCOCC2
Chemical ID:
4040433
Name [?]:
2-morpholinosulfonylbenzonitrile
SMILES [?]:
c1ccc(c(c1)C#N)S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C11H12N2O3S/c12-9-10-3-1-2-4-11(10)17(14,15)13-5-7-16-8-6-13/h1-4H,5-8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,13,17,14,16,7,5,4,8,12,10,11,15,9/E:(5,6)(7,8)(14,15)/CRV:17.6/rA:17nCCCCCCCNSOONCCOCC/rB:s1;d2;s3;d4;d1s5;s5;t7;s4;d9;d9;s9;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O3S
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.58492
Area:394.294
Solvation:-3.27244
Coulombic:-18.8981
Bond Count [?]
All:18
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:252.291
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.43
LogP (Chemaxon):0.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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