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Chemical ID: 4517673
Chemical ID:
4517673
Name [?]:
N-phenethylacetamide
SMILES [?]:
CC(=O)NCCc1ccccc1
InChi [?]:
InChI=1/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,9,11,8,12,6,5,2,7,4,3/E:(3,4)(5,6)/rA:12nCCONCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.88753 |
Area: | 354.403 |
Solvation: | -1.97255 |
Coulombic: | -21.2562 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 163.216 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.58 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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