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Chemical ID: 4921675
Chemical ID:
4921675
Name [?]:
N-[1-(4-methoxy-6-oxo-pyran-2-yl)-2-phenyl-ethyl]acetamide
SMILES [?]:
CC(=O)NC(Cc1ccccc1)c2cc(cc(=O)o2)OC
InChi [?]:
InChI=1/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,21,10,9,11,8,12,6,14,16,2,7,15,5,13,17,4,3,18,20,19/E:(4,5)(6,7)/rA:21cCCONCCCCCCCCCCCCCOOOC/rB:s1;d2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s5;d13;s14;d15;s16;d17;s13s17;s15;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.76742 |
Area: | 473.729 |
Solvation: | -5.07581 |
Coulombic: | -43.9373 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 287.311 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.04 |
LogP (Chemaxon): | 1.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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