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Chemical ID: 7331603
Chemical ID:
7331603
Name [?]:
None
SMILES [?]:
CCOC(=O)N=S(=O)(c1ccccc1)N
InChi [?]:
InChI=1/C9H12N2O3S/c1-2-14-9(12)11-15(10,13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,10,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,10,14,9,4,15,6,5,8,3,7/E:(4,5)(6,7)/CRV:15.6/rA:15cCCOCONSOCCCCCCN/rB:s1;s2;s3;d4;s4;d6;d7;s7;s9;d10;s11;d12;d9s13;s7;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O3S |
All Atoms: | 27 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.53041 |
Area: | 397.505 |
Solvation: | -2.40721 |
Coulombic: | -46.5941 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 228.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 0.72 |
LogP (Chemaxon): | 1.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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