Chemical ID: 6704872

CC(C(=O)[O-])NS(=O)(=O)c1ccc(cc1)OC
Chemical ID:
6704872
Name [?]:
2-(4-methoxyphenyl)sulfonylaminopropanoate
SMILES [?]:
CC(C(=O)[O-])NS(=O)(=O)c1ccc(cc1)OC
InChi [?]:
InChI=1/C10H13NO5S/c1-7(10(12)13)11-17(14,15)9-5-3-8(16-2)4-6-9/h3-7,11H,1-2H3,(H,12,13)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,12,14,11,15,2,13,10,3,6,4,5,8,9,16,7/E:(3,4)(5,6)(12,13)(14,15)/CRV:17.6/rA:17cCCCOO-NSOOCCCCCCOC/rB:s1;s2;d3;s3;s2;s6;d7;d7;s7;s10;d11;s12;d13;d10s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12NO5S-
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:-32.2363
Area:424.68
Solvation:-42.8533
Coulombic:-21.6401
Bond Count [?]
All:17
Single:11
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:258.272
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:0.21
LogP (Chemaxon):0.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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