Chemical ID: 7331603

CCOC(=O)N=S(=O)(c1ccccc1)N
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

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