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Chemical ID: 4912334
Chemical ID:
4912334
Name [?]:
None
SMILES [?]:
CC12CC(=O)N(C1=CCc3c2ncs3)C
InChi [?]:
InChI=1/C11H12N2OS/c1-11-5-9(14)13(2)8(11)4-3-7-10(11)12-6-15-7/h4,6H,3,5H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,9,8,3,13,10,7,4,11,2,12,6,5,14/rA:15cCCCCONCCCCCNCSC/rB:s1;s2;s3;d4;s4;s2s6;d7;s8;s9;s2d10;s11;d12;s10s13;s6;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2OS |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.08605 |
Area: | 368.203 |
Solvation: | -2.11903 |
Coulombic: | -19.7263 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 220.292 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.54 |
LogP (Chemaxon): | -0.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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