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Chemical ID: 6399616
Chemical ID:
6399616
Name [?]:
N-(4-pyridylmethyl)acetamide
SMILES [?]:
CC(=O)NCc1ccncc1
InChi [?]:
InChI=1/C8H10N2O/c1-7(11)10-6-8-2-4-9-5-3-8/h2-5H,6H2,1H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,7,11,8,10,5,2,6,9,4,3/E:(2,3)(4,5)/rA:11nCCONCCCCNCC/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H10N2O |
All Atoms: | 11 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.65564 |
Area: | 325.704 |
Solvation: | -2.48696 |
Coulombic: | -23.8999 |
Bond Count [?]
All: | 11 |
Single: | 7 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 150.178 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.17 |
LogP (Chemaxon): | -0.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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