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Chemical ID: 4682234
Chemical ID:
4682234
Name [?]:
methyl 2-(2-methylpropanoylamino)-2-phenyl-acetate
SMILES [?]:
CC(C)C(=O)NC(c1ccccc1)C(=O)OC
InChi [?]:
InChI=1/C13H17NO3/c1-9(2)12(15)14-11(13(16)17-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,17,11,10,12,9,13,2,8,7,4,14,6,5,15,16/E:(1,2)(5,6)(7,8)/rA:17cCCCCONCCCCCCCCOOC/rB:s1;s2;s2;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NO3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.95513 |
Area: | 434.664 |
Solvation: | -2.91146 |
Coulombic: | -41.6251 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 235.279 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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