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Chemical ID: 6319031
Chemical ID:
6319031
Name [?]:
N-(2-furylmethyl)-2-methyl-propanamide
SMILES [?]:
CC(C)C(=O)NCc1ccco1
InChi [?]:
InChI=1/C9H13NO2/c1-7(2)9(11)10-6-8-4-3-5-12-8/h3-5,7H,6H2,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,10,9,11,7,2,8,4,6,5,12/E:(1,2)/rA:12nCCCCONCCCCCO/rB:s1;s2;s2;d4;s4;s6;s7;d8;s9;d10;s8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H13NO2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.10296 |
Area: | 351.297 |
Solvation: | -2.67946 |
Coulombic: | -27.3304 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 167.205 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.66 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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