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Chemical ID: 6415668
Chemical ID:
6415668
Name [?]:
N-benzothiazol-2-yl-3-methylsulfanyl-propanamide
SMILES [?]:
CSCCC(=O)Nc1nc2ccccc2s1
InChi [?]:
InChI=1/C11H12N2OS2/c1-15-7-6-10(14)13-11-12-8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,12,13,14)
InChi Info:
AuxInfo=1/1/N:1,12,13,11,14,4,3,10,15,5,8,9,7,6,2,16/rA:16nCSCCCONCNCCCCCCS/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;s10;d11;s12;d13;d10s14;s8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2OS2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.47036 |
Area: | 442.159 |
Solvation: | -2.58362 |
Coulombic: | -27.0025 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.358 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.05 |
LogP (Chemaxon): | 3.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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