Chemical ID: 5055921

Cc1cc(cc(c1NC(=O)C)C)C(=O)O
Chemical ID:
5055921
Name [?]:
4-acetamido-3,5-dimethyl-benzoic acid
SMILES [?]:
Cc1cc(cc(c1NC(=O)C)C)C(=O)O
InChi [?]:
InChI=1/C11H13NO3/c1-6-4-9(11(14)15)5-7(2)10(6)12-8(3)13/h4-5H,1-3H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,12,11,3,5,2,6,9,4,7,13,8,10,14,15/E:(1,2)(4,5)(6,7)(14,15)/rA:15nCCCCCCCNCOCCCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s6;s4;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.76877
Area:382.292
Solvation:-2.78854
Coulombic:-46.1404
Bond Count [?]
All:15
Single:10
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:207.226
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.34
LogP (Chemaxon):0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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