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Chemical ID: 7289383
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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Experimental Annotations
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Descriptor Annotations
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