Chemical ID: 7289383

CCCOc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N2CCOCC2
Chemical ID:
7289383
Name [?]:
4-(3-nitro-4-propoxy-phenyl)sulfonylmorpholine
SMILES [?]:
CCCOc1ccc(cc1[N+](=O)[O-])S(=O)(=O)N2CCOCC2
InChi [?]:
InChI=1/C13H18N2O6S/c1-2-7-21-13-4-3-11(10-12(13)15(16)17)22(18,19)14-5-8-20-9-6-14/h3-4,10H,2,5-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,18,22,3,19,21,9,8,10,5,17,11,12,13,15,16,20,4,14/E:(5,6)(8,9)(16,17)(18,19)/CRV:15.5,22.6/rA:22nCCCOCCCCCCN+OO-SOONCCOCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s11;s8;d14;d14;s14;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O6S
All Atoms:40
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:1.16352
Area:511.155
Solvation:-11.6153
Coulombic:-30.3508
Bond Count [?]
All:23
Single:17
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:330.358
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:1.18
LogP (Chemaxon):1.34

Name Annotations

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Descriptor Annotations

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