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Chemical ID: 7475041
Chemical ID:
7475041
Name [?]:
2-(4-methylphenoxy)propanamide
SMILES [?]:
Cc1ccc(cc1)OC(C)C(=O)N
InChi [?]:
InChI=1/C10H13NO2/c1-7-3-5-9(6-4-7)13-8(2)10(11)12/h3-6,8H,1-2H3,(H2,11,12)
InChi Info:
AuxInfo=1/1/N:1,10,3,7,4,6,2,9,5,11,13,12,8/E:(3,4)(5,6)/rA:13cCCCCCCCOCCCON/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s9;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO2 |
All Atoms: | 26 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.61247 |
Area: | 357.068 |
Solvation: | -3.31423 |
Coulombic: | -33.8048 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 179.216 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.55 |
LogP (Chemaxon): | 1.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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