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Chemical ID: 4731973
Chemical ID:
4731973
Name [?]:
N-(3-formyl-2-pyridyl)-2,2-dimethyl-propanamide
SMILES [?]:
CC(C)(C)C(=O)Nc1c(cccn1)C=O
InChi [?]:
InChI=1/C11H14N2O2/c1-11(2,3)10(15)13-9-8(7-14)5-4-6-12-9/h4-7H,1-3H3,(H,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,10,12,14,9,8,5,2,13,7,15,6/E:(1,2,3)/rA:15nCCCCCONCCCCCNCO/rB:s1;s2;s2;s2;d5;s5;s7;s8;d9;s10;d11;d8s12;s9;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.52117 |
Area: | 386.28 |
Solvation: | -4.13583 |
Coulombic: | -30.5708 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 206.241 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.62 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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