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Chemical ID: 4509881
Chemical ID:
4509881
Name [?]:
N-(2-hydroxy-1,1-dimethyl-ethyl)-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)NC(C)(C)CO
InChi [?]:
InChI=1/C12H17NO2/c1-9-4-6-10(7-5-9)11(15)13-12(2,3)8-14/h4-7,14H,8H2,1-3H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,12,13,3,7,4,6,14,2,5,8,11,10,15,9/E:(2,3)(4,5)(6,7)/rA:15nCCCCCCCCONCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s11;s11;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H17NO2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26729 |
Area: | 394.252 |
Solvation: | -2.58902 |
Coulombic: | -39.8284 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.269 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 2.03 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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