Chemical ID: 4742108

Cc1cccc(c1C(=O)O)NC(=O)C
Chemical ID:
4742108
Name [?]:
2-acetamido-6-methyl-benzoic acid
SMILES [?]:
Cc1cccc(c1C(=O)O)NC(=O)C
InChi [?]:
InChI=1/C10H11NO3/c1-6-4-3-5-8(11-7(2)12)9(6)10(13)14/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,4,3,5,2,12,6,7,8,11,13,9,10/E:(13,14)/rA:14nCCCCCCCCOONCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s6;s11;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.40115
Area:359.996
Solvation:-2.59875
Coulombic:-46.9169
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:193.199
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.97
LogP (Chemaxon):2.01

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