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Chemical ID: 4931537
Chemical ID:
4931537
Name [?]:
N-[2-(3,4-dihydroxyphenyl)ethyl]-2-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)CC(=O)NCCc2ccc(c(c2)O)O
InChi [?]:
InChI=1/C16H17NO3/c18-14-7-6-13(10-15(14)19)8-9-17-16(20)11-12-4-2-1-3-5-12/h1-7,10,18-19H,8-9,11H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,14,15,12,11,18,7,4,13,16,17,8,10,20,19,9/E:(2,3)(4,5)/rA:20nCCCCCCCCONCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.72085 |
Area: | 492.239 |
Solvation: | -4.58511 |
Coulombic: | -53.7328 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 271.311 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.72 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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