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Chemical ID: 5187120
Chemical ID:
5187120
Name [?]:
N-aziridin-1-ylcarbothioylbenzamide
SMILES [?]:
c1ccc(cc1)C(=O)NC(=S)N2CC2
InChi [?]:
InChI=1/C10H10N2OS/c13-9(8-4-2-1-3-5-8)11-10(14)12-6-7-12/h1-5H,6-7H2,(H,11,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,13,14,4,7,10,9,12,8,11/E:(2,3)(4,5)(6,7)/rA:14nCCCCCCCONCSNCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s10;s12;s12s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N2OS |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.44871 |
Area: | 384.32 |
Solvation: | -2.15929 |
Coulombic: | -29.5938 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.265 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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