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Chemical ID: 6157334
Chemical ID:
6157334
Name [?]:
N-(cyanomethyl)-2-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)CC(=O)NCC#N
InChi [?]:
InChI=1/C11H12N2O/c1-9-2-4-10(5-3-9)8-11(14)13-7-6-12/h2-5H,7-8H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,13,12,8,2,5,9,14,11,10/E:(2,3)(4,5)/rA:14nCCCCCCCCCONCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.0972 |
Area: | 390.653 |
Solvation: | -2.66912 |
Coulombic: | -23.5871 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.17 |
LogP (Chemaxon): | 1.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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