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Chemical ID: 6427470
Chemical ID:
6427470
Name [?]:
methyl 2-acetamido-3-methyl-benzoate
SMILES [?]:
Cc1cccc(c1NC(=O)C)C(=O)OC
InChi [?]:
InChI=1/C11H13NO3/c1-7-5-4-6-9(11(14)15-3)10(7)12-8(2)13/h4-6H,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,11,15,4,3,5,2,9,6,7,12,8,10,13,14/rA:15nCCCCCCCNCOCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13NO3 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.82655 |
Area: | 375.292 |
Solvation: | -2.55574 |
Coulombic: | -39.0571 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 207.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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