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Chemical ID: 4349837
Chemical ID:
4349837
Name [?]:
N-allyl-2-(2-naphthyloxy)acetamide
SMILES [?]:
C=CCNC(=O)COc1ccc2ccccc2c1
InChi [?]:
InChI=1/C15H15NO2/c1-2-9-16-15(17)11-18-14-8-7-12-5-3-4-6-13(12)10-14/h2-8,10H,1,9,11H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,14,15,13,16,11,10,3,18,7,12,17,9,5,4,6,8/rA:18nCCCNCOCOCCCCCCCCCC/rB:d1;s2;s3;s4;d5;s5;s7;s8;s9;d10;s11;s12;d13;s14;d15;d12s16;d9s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H15NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.51171 |
Area: | 453.455 |
Solvation: | -3.82467 |
Coulombic: | -31.1863 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 241.285 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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