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Chemical ID: 6640278
Chemical ID:
6640278
Name [?]:
N-(2-hydroxy-1-phenyl-ethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(CO)c2ccccc2
InChi [?]:
InChI=1/C16H17NO2/c1-12-7-9-14(10-8-12)16(19)17-15(11-18)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,15,19,3,7,4,6,12,2,14,5,11,8,10,13,9/E:(3,4)(5,6)(7,8)(9,10)/rA:19cCCCCCCCCONCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s11;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H17NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.77715 |
Area: | 460.033 |
Solvation: | -2.72367 |
Coulombic: | -41.5153 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.312 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.97 |
LogP (Chemaxon): | 2.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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