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Chemical ID: 4764378
Chemical ID:
4764378
Name [?]:
None
SMILES [?]:
Cc1cc(no1)C(=O)N=S(=O)(C)c2ccccc2
InChi [?]:
InChI=1/C12H12N2O3S/c1-9-8-11(13-17-9)12(15)14-18(2,16)10-6-4-3-5-7-10/h3-8H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,16,15,17,14,18,3,2,13,4,7,5,9,8,11,6,10/E:(4,5)(6,7)/CRV:18.6/rA:18cCCCCNOCONSOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s4;d7;s7;d9;d10;s10;s10;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N2O3S |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.37941 |
Area: | 443.776 |
Solvation: | -3.71499 |
Coulombic: | -21.8038 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 264.301 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.1 |
LogP (Chemaxon): | 1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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